(4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-dimethylaminoethylamino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-dimethylaminoethylcarbamoyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H24N4O5S MolecularWeight: 396.46126

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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-])S

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-19(2)8-7-18-16(22)15-9-14(27)10-20(15)17(23)26-11-12-3-5-13(6-4-12)21(24)25/h3-6,14-15,27H,7-11H2,1-2H3,(H,18,22)