(5-ethanoyl-2-methoxy-phenyl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 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 (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C27H27NO5S MolecularWeight: 477.57198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC)C4=CC=CS4

InChI

InChI=1S/C27H27NO5S/c1-17-6-9-21(10-7-17)28-25(30)13-11-22(26(28)24-5-4-14-34-24)27(31)33-16-20-15-19(18(2)29)8-12-23(20)32-3/h4-10,12,14-15,22,26H,11,13,16H2,1-3H3