Molecular properties
- Formula
- C21H22N2O5S
- Molar mass
- 414.48 g·mol−1
- Exact mass
- 414.1249 Da
- 12
- PubChem CID
- 8982
Molecule record
(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C21H22N2O5S
414.48 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Amide
Aromatic ring
Carboxylic acid
Ether
Secondary amine
Sulfide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (2-Ethoxy-1-naphthyl)penicillin
- (2-ethoxy-1-naphthalenyl)penicillin
- (2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2s,5r,6r)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 147-52-4
- 205-690-9
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-
- 4CNZ27M7RV
Show all 24 synonyms
- 6-(2-ethoxy-1-naphthamido)penicillanic acid
- CHEBI:7447
- DTXCID303343
- DTXSID8023343
- J01CF06
- Nafcilin-1
- Nafcilina
- Nafcilline
- Nafcillinum
- Naphcillin
- Naphthamidopenicillin
- Penicillin, (2-ethoxy-1-naphthalenyl)-
- Penicillin, (2-ethoxy-1-naphthyl)-
- RefChem:55686
- nafcillin
- nafcillina
Structure identifiers
- Canonical SMILES
- CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
- Isomeric SMILES
- CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
- InChI
- InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
- InChIKey
- GPXLMGHLHQJAGZ-JTDSTZFVSA-N
- PubChem CID
- 8982
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.