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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1CCC(=O)N(C1C2=CC=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1CCC(=O)N(C1C2=CC=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O4S/c1-3-4-13-24-20(26)15-29-23(28)18-11-12-21(27)25(17-9-7-16(2)8-10-17)22(18)19-6-5-14-30-19/h5-10,14,18,22H,3-4,11-13,15H2,1-2H3,(H,24,26)