methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C18H20N2O6S/c1-24-11-6-7-14(25-2)15(9-11)27-17-12(5-4-8-19-17)16(22)20-13(10-21)18(23)26-3/h4-9,13,21H,10H2,1-3H3,(H,20,22)