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

Systemtic Name: 2-[(3-methyl-8-oxidanylidene-2-phenacyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-methyl-8-oxo-2-phenacyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid CAS Name: 2-[[[3-methyl-8-oxo-2-[oxo(phenacyloxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-methyl-8-oxo-2-phenacyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Traditional Name: 2-[(8-keto-3-methyl-2-phenacyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoic acid Formula: C24H20N2O7S MolecularWeight: 480.4898

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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)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3C(=O)O)SC1)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O7S/c1-13-12-34-22-18(25-20(28)15-9-5-6-10-16(15)23(30)31)21(29)26(22)19(13)24(32)33-11-17(27)14-7-3-2-4-8-14/h2-10,18,22H,11-12H2,1H3,(H,25,28)(H,30,31)