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

Systemtic Name: 3-methoxy-8-oxidanylidene-7-[(2-phenyl-2-sulfo-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methoxy-8-oxo-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methoxy-8-oxo-7-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methoxy-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methoxy-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O8S2 MolecularWeight: 428.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O8S2/c1-26-9-7-27-15-10(14(20)18(15)11(9)16(21)22)17-13(19)12(28(23,24)25)8-5-3-2-4-6-8/h2-6,10,12,15H,7H2,1H3,(H,17,19)(H,21,22)(H,23,24,25)