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

Systemtic Name: 4-methyl-8-oxidanylidene-7-[(2-phenyl-2-sulfo-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-methyl-8-oxo-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-methyl-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: 4-methyl-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-4-methyl-7-[(2-phenyl-2-sulfo-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O7S2 MolecularWeight: 412.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O7S2/c1-8-7-10(16(21)22)18-14(20)11(15(18)26-8)17-13(19)12(27(23,24)25)9-5-3-2-4-6-9/h2-8,11-12,15H,1H3,(H,17,19)(H,21,22)(H,23,24,25)