[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2R,3S)-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2R,3S)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2R,3S)-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C26H23N3O4S/c1-17-4-10-20(11-5-17)29-24(31)13-12-21(25(29)22-3-2-14-34-22)26(32)33-16-23(30)28-19-8-6-18(15-27)7-9-19/h2-11,14,21,25H,12-13,16H2,1H3,(H,28,30)/t21-,25+/m0/s1