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

Systemtic Name: 8-[[3-[1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(3-carbethoxy-4-phenyl-2-thienyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C35H30N2O6S2 MolecularWeight: 638.7525

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C35H30N2O6S2/c1-3-28(32(39)37-33-30(35(42)43-4-2)27(20-44-33)21-11-6-5-7-12-21)45-24-16-10-15-23(19-24)36-31(38)25-17-8-13-22-14-9-18-26(29(22)25)34(40)41/h5-20,28H,3-4H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)