8-[[4-[2-[(3-carboxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-[(3-carboxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(3-carboxyanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(3-carboxyanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(3-carboxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(3-carboxyanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H20N2O6S MolecularWeight: 500.5225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C(=CC=C2)C(=O)O

InChI

InChI=1S/C27H20N2O6S/c30-23(28-19-7-1-6-17(14-19)26(32)33)15-36-20-12-10-18(11-13-20)29-25(31)21-8-2-4-16-5-3-9-22(24(16)21)27(34)35/h1-14H,15H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35)