methyl 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[2-keto-2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]nicotinic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(CCC2)C(=O)CSC3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N(CCC2)C(=O)CSC3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-13-5-3-6-14-7-4-10-21(18(13)14)17(22)12-25-16-9-8-15(11-20-16)19(23)24-2/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3