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

Systemtic Name: 8-[[3-[1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-ethoxycarbonylphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(4-carbethoxyphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H28N2O6S/c1-3-26(29(35)32-21-16-14-20(15-17-21)31(38)39-4-2)40-23-11-7-10-22(18-23)33-28(34)24-12-5-8-19-9-6-13-25(27(19)24)30(36)37/h5-18,26H,3-4H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)