2-[(2-methoxycarbonyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-methoxycarbonyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-methoxycarbonyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid CAS Name: 2-[[(2-methoxycarbonyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-methoxycarbonyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Traditional Name: 2-[(2-carbomethoxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3C(=O)O)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3C(=O)O)SC1)C(=O)OC

InChI

InChI=1S/C17H16N2O6S/c1-8-7-26-15-11(14(21)19(15)12(8)17(24)25-2)18-13(20)9-5-3-4-6-10(9)16(22)23/h3-6,11,15H,7H2,1-2H3,(H,18,20)(H,22,23)