methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(methylthio)nicotinoyl]amino]propionic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=C(N=CC=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=C(N=CC=C2)SC)OC

InChI

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