ethyl 1-(2-propan-2-ylsulfanylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-propan-2-ylsulfanylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-isopropylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(propan-2-ylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-propan-2-ylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(isopropylthio)benzoyl]isonipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SC(C)C

InChI

InChI=1S/C18H25NO3S/c1-4-22-18(21)14-9-11-19(12-10-14)17(20)15-7-5-6-8-16(15)23-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3