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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-aminocarbonyloxyethoxymethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-carbamoyloxyethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-carbamoyloxyethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-carbamoyloxyethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-carbamoyloxyethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H23N3O8S MolecularWeight: 441.45552

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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-])COCCOC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O8S/c1-12(22)30-16-8-15(11-27-6-7-28-17(19)23)20(9-16)18(24)29-10-13-2-4-14(5-3-13)21(25)26/h2-5,15-16H,6-11H2,1H3,(H2,19,23)