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

Systemtic Name: ethyl 1-[2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-ethyl-2-keto-4-quinolyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-3-23-17-8-6-5-7-16(17)18(13-19(23)24)28-14-20(25)22-11-9-15(10-12-22)21(26)27-4-2/h5-8,13,15H,3-4,9-12,14H2,1-2H3