ethyl 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSCC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-2-22-18(21)14-23-13-17(20)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3