ethyl 1-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-keto-1-methyl-4-quinolyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C20H24N2O4S/c1-3-26-20(25)14-8-10-22(11-9-14)19(24)13-27-17-12-18(23)21(2)16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11,13H2,1-2H3