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

Systemtic Name: (4-nitrophenyl)methyl 2-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(4-carbamoyl-2-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S2/c1-10(23)30-13-6-15(17-20-14(9-29-17)16(19)24)21(7-13)18(25)28-8-11-2-4-12(5-3-11)22(26)27/h2-5,9,13,15H,6-8H2,1H3,(H2,19,24)