(4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-dimethylaminoethyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-dimethylaminoethyloxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-dimethylaminoethyloxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-dimethylaminoethyloxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCN(C)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCN(C)C

InChI

InChI=1S/C19H27N3O6S/c1-14(23)29-18-10-17(13-27-9-8-20(2)3)21(11-18)19(24)28-12-15-4-6-16(7-5-15)22(25)26/h4-7,17-18H,8-13H2,1-3H3