7-[(2-cyano-2-phenyl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-cyano-2-phenyl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-cyano-2-phenyl-acetyl)amino]-3-methoxy-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]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-cyano-2-phenylacetyl)amino]-3-methoxy-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-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)C(C#N)C3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)C(C#N)C3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C17H15N3O5S/c1-25-11-8-26-16-12(15(22)20(16)13(11)17(23)24)19-14(21)10(7-18)9-5-3-2-4-6-9/h2-6,10,12,16H,8H2,1H3,(H,19,21)(H,23,24)