ethyl 2-(1-ethyl-3-methylidene-piperidin-4-yl)-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl 2-(1-ethyl-3-methylidene-piperidin-4-yl)-2-phenylsulfanyl-ethanoate Openeye Name: ethyl 2-(1-ethyl-3-methylene-4-piperidyl)-2-phenylsulfanyl-acetate CAS Name: 2-(1-ethyl-3-methylene-4-piperidinyl)-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-ethyl-3-methylidenepiperidin-4-yl)-2-phenylsulfanylacetate Traditional Name: 2-(1-ethyl-3-methylene-4-piperidyl)-2-(phenylthio)acetic acid ethyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C(=C)C1)C(C(=O)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCN1CCC(C(=C)C1)C(C(=O)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C18H25NO2S/c1-4-19-12-11-16(14(3)13-19)17(18(20)21-5-2)22-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-13H2,1-2H3