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

Systemtic Name: 8-[[3-[1-[(3-carboxy-4-oxidanyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(3-carboxy-4-hydroxy-phenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(3-carboxy-4-hydroxyanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(3-carboxy-4-hydroxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(3-carboxy-4-hydroxy-phenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H24N2O7S MolecularWeight: 544.57506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O7S/c1-2-24(27(34)31-18-12-13-23(32)22(15-18)29(37)38)39-19-9-5-8-17(14-19)30-26(33)20-10-3-6-16-7-4-11-21(25(16)20)28(35)36/h3-15,24,32H,2H2,1H3,(H,30,33)(H,31,34)(H,35,36)(H,37,38)