(4-nitrophenyl)methyl 2-(1,3-dithiolan-2-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-dithiolan-2-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1,3-dithiolan-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1,3-dithiolan-2-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1,3-dithiolan-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1,3-dithiolan-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N2O5S3 MolecularWeight: 428.5461

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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-])C3SCCS3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3SCCS3

InChI

InChI=1S/C17H20N2O5S3/c1-11(20)27-14-8-15(16-25-6-7-26-16)18(9-14)17(21)24-10-12-2-4-13(5-3-12)19(22)23/h2-5,14-16H,6-10H2,1H3