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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-thiazol-4-yl-pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-thiazol-4-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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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=CSC=N3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=N3

InChI

InChI=1S/C17H17N3O5S2/c1-11(21)27-14-6-16(15-9-26-10-18-15)19(7-14)17(22)25-8-12-2-4-13(5-3-12)20(23)24/h2-5,9-10,14,16H,6-8H2,1H3