(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-ethyl-3-thiazol-5-yl-pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-ethyl-3-(5-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-ethyl-3-(1,3-thiazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-ethyl-3-thiazol-5-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CN=CS3

Isomeric SMILES

CCC1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)C3=CN=CS3

InChI

InChI=1S/C19H21N3O5S2/c1-3-15-18(16-8-20-11-28-16)17(29-12(2)23)9-21(15)19(24)27-10-13-4-6-14(7-5-13)22(25)26/h4-8,11,15,17-18H,3,9-10H2,1-2H3