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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-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-(isoamylamino)-2-keto-ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCCC(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCCC(C)C)C3=CC=CS3

InChI

InChI=1S/C24H30N2O4S/c1-16(2)12-13-25-21(27)15-30-24(29)19-10-11-22(28)26(18-8-6-17(3)7-9-18)23(19)20-5-4-14-31-20/h4-9,14,16,19,23H,10-13,15H2,1-3H3,(H,25,27)