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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-methylthiazol-4-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-methyl-4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-methylthiazol-4-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C18H19N3O5S2/c1-11-19-16(10-27-11)17-7-15(28-12(2)22)8-20(17)18(23)26-9-13-3-5-14(6-4-13)21(24)25/h3-6,10,15,17H,7-9H2,1-2H3