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

Systemtic Name: 8-[[4-[2-[(3-carboxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(3-carboxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(3-carboxyanilino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(3-carboxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(3-carboxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H24N2O6S MolecularWeight: 576.61846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C33H24N2O6S/c36-30(26-13-5-9-20-10-6-14-27(28(20)26)33(40)41)34-23-15-17-25(18-16-23)42-29(21-7-2-1-3-8-21)31(37)35-24-12-4-11-22(19-24)32(38)39/h1-19,29H,(H,34,36)(H,35,37)(H,38,39)(H,40,41)