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

Systemtic Name: 8-[[3-[2-[(3-carboxy-4-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(3-carboxy-4-hydroxy-anilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(3-carboxy-4-hydroxyanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(3-carboxy-4-hydroxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(3-carboxy-4-hydroxy-anilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H20N2O7S MolecularWeight: 516.5219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N2O7S/c30-22-11-10-17(13-21(22)27(35)36)28-23(31)14-37-18-7-3-6-16(12-18)29-25(32)19-8-1-4-15-5-2-9-20(24(15)19)26(33)34/h1-13,30H,14H2,(H,28,31)(H,29,32)(H,33,34)(H,35,36)