7-[(2-cyano-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-cyano-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyano-2-phenyl-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyano-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyano-2-phenyl-acetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)C(C#N)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)C(C#N)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c17-8-10(9-4-2-1-3-5-9)13(20)18-12-14(21)19-11(16(22)23)6-7-24-15(12)19/h1-6,10,12,15H,7H2,(H,18,20)(H,22,23)