ethyl 1-(2-quinolin-2-ylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-quinolin-2-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-quinolylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(2-quinolinylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-quinolin-2-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: 1-[2-(2-quinolylthio)acetyl]nipecotic acid ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H22N2O3S/c1-2-24-19(23)15-7-5-11-21(12-15)18(22)13-25-17-10-9-14-6-3-4-8-16(14)20-17/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3