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

Systemtic Name: ethyl 4-[2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-ethyl-2-keto-4-quinolyl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-24-17-8-6-5-7-16(17)18(13-20(24)26)29-14-19(25)22-15-9-11-23(12-10-15)21(27)28-4-2/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,22,25)