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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (2S,3R)-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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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=CC=C3[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6S/c1-16-8-10-17(11-9-16)27-23(30)13-12-18(24(27)21-7-4-14-35-21)25(31)34-15-22(29)26-19-5-2-3-6-20(19)28(32)33/h2-11,14,18,24H,12-13,15H2,1H3,(H,26,29)/t18-,24+/m1/s1