(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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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-])COCC3=NC=NN3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC3=NC=NN3

InChI

InChI=1S/C18H21N5O6S/c1-12(24)30-16-6-15(9-28-10-17-19-11-20-21-17)22(7-16)18(25)29-8-13-2-4-14(5-3-13)23(26)27/h2-5,11,15-16H,6-10H2,1H3,(H,19,20,21)