(4-oxidanylidene-4-thiophen-2-yl-butyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c24-18(19-9-5-15-28-19)8-4-14-27-20(25)16-10-12-23(13-11-16)21(26)22-17-6-2-1-3-7-17/h1-3,5-7,9,15-16H,4,8,10-14H2,(H,22,26)