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

Systemtic Name: propan-2-yl 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: isopropyl 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]nicotinic acid isopropyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H22N2O5S/c1-12(2)26-19(23)14-6-5-9-20-18(14)27-11-17(22)21-13-7-8-15(24-3)16(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,22)