ethyl 1-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(2-keto-1-methyl-4-quinolyl)thio]acetyl]nipecotic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

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