[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CS4

InChI

InChI=1S/C27H25N3O4S/c1-18-4-10-21(11-5-18)30-25(32)13-12-22(26(30)23-3-2-16-35-23)27(33)34-17-24(31)29-20-8-6-19(7-9-20)14-15-28/h2-11,16,22,26H,12-14,17H2,1H3,(H,29,31)