methyl 2-(2-methylsulfanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(2-methylsulfanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(2-methylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(methylthio)nicotinoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H18N2O3S/c1-23-18(22)14-6-3-5-12-11-20(10-8-13(12)14)17(21)15-7-4-9-19-16(15)24-2/h3-7,9H,8,10-11H2,1-2H3