(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[4-(methylsulfonyloxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[4-(methylsulfonyloxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(methylsulfonyloxymethyl)thiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[4-(methylsulfonyloxymethyl)-2-thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(methylsulfonyloxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[4-(methylsulfonyloxymethyl)thiazol-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N3O8S3 MolecularWeight: 515.58034

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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-])C3=NC(=CS3)COS(=O)(=O)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)COS(=O)(=O)C

InChI

InChI=1S/C19H21N3O8S3/c1-12(23)32-16-7-17(18-20-14(11-31-18)10-30-33(2,27)28)21(8-16)19(24)29-9-13-3-5-15(6-4-13)22(25)26/h3-6,11,16-17H,7-10H2,1-2H3