methyl 4-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[2-(methylthio)nicotinoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(N=CC=C3)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=C(N=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C20H18N2O4S/c1-12-13-7-4-5-9-15(13)22-16(17(12)20(24)25-2)11-26-19(23)14-8-6-10-21-18(14)27-3/h4-10H,11H2,1-3H3