methyl 3-[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[4-(4-methylpiperidino)anilino]ethyl]thio]propionic acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C18H26N2O3S/c1-14-7-10-20(11-8-14)16-5-3-15(4-6-16)19-17(21)13-24-12-9-18(22)23-2/h3-6,14H,7-13H2,1-2H3,(H,19,21)