(4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-[(2-dimethylaminoethylamino)-oxomethyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-(2-dimethylaminoethylcarbamoyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32N4O6S/c1-27(2)13-12-26-24(30)23-14-22(36-17-19-6-10-21(34-3)11-7-19)15-28(23)25(31)35-16-18-4-8-20(9-5-18)29(32)33/h4-11,22-23H,12-17H2,1-3H3,(H,26,30)