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

Systemtic Name: 8-[[3-[1-[(5-carboxy-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(5-carboxy-2-methyl-phenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(5-carboxy-2-methylanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(5-carboxy-2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(5-carboxy-2-methyl-phenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C30H26N2O6S/c1-3-25(28(34)32-24-15-19(29(35)36)14-13-17(24)2)39-21-10-6-9-20(16-21)31-27(33)22-11-4-7-18-8-5-12-23(26(18)22)30(37)38/h4-16,25H,3H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)