methyl (3R)-2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[[2-(methylthio)-3-pyridinyl]-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[2-(methylthio)nicotinoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H20N2O5S/c1-26-20(25)16-10-13-6-3-4-7-14(13)11-22(16)17(23)12-27-19(24)15-8-5-9-21-18(15)28-2/h3-9,16H,10-12H2,1-2H3/t16-/m1/s1