methyl (2E)-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-oxidanylidene-4-piperidin-1-yl-butanoate

Systemtic Name: methyl (2E)-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-oxidanylidene-4-piperidin-1-yl-butanoate Openeye Name: methyl (2E)-4-oxo-4-(1-piperidyl)-2-[p-tolyl(2-thienyl)methylene]butanoate CAS Name: (2E)-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-oxo-4-(1-piperidinyl)butanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-oxo-4-piperidin-1-ylbutanoate Traditional Name: (E)-2-(2-keto-2-piperidino-ethyl)-3-(p-tolyl)-3-(2-thienyl)acrylic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(CC(=O)N2CCCCC2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(/CC(=O)N2CCCCC2)\C(=O)OC)/C3=CC=CS3

InChI

InChI=1S/C22H25NO3S/c1-16-8-10-17(11-9-16)21(19-7-6-14-27-19)18(22(25)26-2)15-20(24)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3/b21-18+