(2-chlorophenyl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-chlorophenyl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-chlorophenyl) 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]nicotinic acid (2-chlorophenyl) ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C22H19ClN2O5S/c1-28-18-10-9-14(12-19(18)29-2)25-20(26)13-31-21-15(6-5-11-24-21)22(27)30-17-8-4-3-7-16(17)23/h3-12H,13H2,1-2H3,(H,25,26)