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

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O5S/c1-27-15-10-11-18(19(13-15)28-2)24-20(25)14-29-22(26)17-9-6-12-23-21(17)30-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,24,25)