[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 1-(cyclopropylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 1-(cyclopropylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 1-(cyclopropylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(cyclopropylamino)-oxomethyl]-4-piperidinecarboxylic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 1-(cyclopropylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(cyclopropylcarbamoyl)isonipecotic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)N2CCC(CC2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)N2CCC(CC2)C(=O)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C23H26N4O4S2/c28-21(14-31-22(29)15-7-9-26(10-8-15)23(30)24-16-5-6-16)27-18(20-4-2-12-33-20)13-17(25-27)19-3-1-11-32-19/h1-4,11-12,15-16,18H,5-10,13-14H2,(H,24,30)