8-[[3-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(2-carbomethoxyanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H22N2O6S MolecularWeight: 514.54908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C28H22N2O6S/c1-36-28(35)20-11-2-3-14-23(20)30-24(31)16-37-19-10-6-9-18(15-19)29-26(32)21-12-4-7-17-8-5-13-22(25(17)21)27(33)34/h2-15H,16H2,1H3,(H,29,32)(H,30,31)(H,33,34)