(2,4-dichlorophenyl)methyl (2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (2,4-dichlorophenyl)methyl (2S,3R)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (2,4-dichlorophenyl)methyl (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 (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl (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 (2,4-dichlorobenzyl) ester Formula: C23H19Cl2NO3S MolecularWeight: 460.37286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4

InChI

InChI=1S/C23H19Cl2NO3S/c1-14-4-8-17(9-5-14)26-21(27)12-18(22(26)20-3-2-10-30-20)23(28)29-13-15-6-7-16(24)11-19(15)25/h2-11,18,22H,12-13H2,1H3/t18-,22+/m1/s1