8-[[3-[2-[(5-carboxy-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(5-carboxy-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(5-carboxy-2-methyl-anilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(5-carboxy-2-methylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(5-carboxy-2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(5-carboxy-2-methyl-anilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H22N2O6S MolecularWeight: 514.54908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

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