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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC(=O)NC3CCCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC(=O)NC3CCCC3)C4=CC=CS4

InChI

InChI=1S/C25H29N3O5S/c1-16-8-10-18(11-9-16)28-22(30)13-12-19(23(28)20-7-4-14-34-20)24(31)33-15-21(29)27-25(32)26-17-5-2-3-6-17/h4,7-11,14,17,19,23H,2-3,5-6,12-13,15H2,1H3,(H2,26,27,29,32)