[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (2S,3R)-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (2S,3R)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: (2S,3R)-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=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](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C24H21N3O6S/c1-15-8-10-16(11-9-15)26-22(29)13-17(23(26)20-7-4-12-34-20)24(30)33-14-21(28)25-18-5-2-3-6-19(18)27(31)32/h2-12,17,23H,13-14H2,1H3,(H,25,28)/t17-,23+/m1/s1