3-methylidene-8-oxidanylidene-7-[(2-phenyl-2-sulfanyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-methylidene-8-oxidanylidene-7-[(2-phenyl-2-sulfanyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-methylene-8-oxo-7-[(2-phenyl-2-sulfanyl-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[(2-mercapto-1-oxo-2-phenylethyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylidene-8-oxo-7-[(2-phenyl-2-sulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-7-[(2-mercapto-2-phenyl-acetyl)amino]-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C3=CC=CC=C3)S

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C3=CC=CC=C3)S

InChI

InChI=1S/C16H16N2O4S2/c1-8-7-24-15-10(14(20)18(15)11(8)16(21)22)17-13(19)12(23)9-5-3-2-4-6-9/h2-6,10-12,15,23H,1,7H2,(H,17,19)(H,21,22)