methyl 2-(2-ethylsulfanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(2-ethylsulfanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(2-ethylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-(ethylthio)nicotinoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-3-25-17-16(5-4-9-20-17)18(22)21-10-8-13-6-7-14(19(23)24-2)11-15(13)12-21/h4-7,9,11H,3,8,10,12H2,1-2H3