(2-chlorophenyl) 2-[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-chlorophenyl) 2-[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: (2-chlorophenyl) 2-[1-[(2-methoxyphenyl)carbamoyl]propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-methoxyanilino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-[(2-methoxyphenyl)carbamoyl]propylthio]nicotinic acid (2-chlorophenyl) ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-3-20(21(27)26-17-11-5-7-13-19(17)29-2)31-22-15(9-8-14-25-22)23(28)30-18-12-6-4-10-16(18)24/h4-14,20H,3H2,1-2H3,(H,26,27)