6-ethanoyl-6-[(4-ethoxyphenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethanoyl-6-[(4-ethoxyphenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(4-ethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-6-[[(4-ethoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-6-[(4-ethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-6-[(4-ethoxybenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2(C3N(C2=O)C(C(S3)(C)C)C(=O)O)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2(C3N(C2=O)C(C(S3)(C)C)C(=O)O)C(=O)C

InChI

InChI=1S/C19H22N2O6S/c1-5-27-12-8-6-11(7-9-12)14(23)20-19(10(2)22)16(26)21-13(15(24)25)18(3,4)28-17(19)21/h6-9,13,17H,5H2,1-4H3,(H,20,23)(H,24,25)