ethyl 1-[2-(cyanomethylsulfanyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(cyanomethylsulfanyl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(cyanomethylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(cyanomethylsulfanyl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(cyanomethylthio)acetyl]nipecotic acid ethyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSCC#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSCC#N

InChI

InChI=1S/C12H18N2O3S/c1-2-17-12(16)10-4-3-6-14(8-10)11(15)9-18-7-5-13/h10H,2-4,6-9H2,1H3