[2-[2-(aminocarbonyloxymethyl)-1,3-thiazol-4-yl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: [2-[2-(aminocarbonyloxymethyl)-1,3-thiazol-4-yl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: [2-[2-(carbamoyloxymethyl)thiazol-4-yl]-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [2-[2-(carbamoyloxymethyl)-4-thiazolyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-[2-(carbamoyloxymethyl)-1,3-thiazol-4-yl]-4-nitrophenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid [2-[2-(carbamoyloxymethyl)thiazol-4-yl]-4-nitro-benzyl] ester Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)COC(=O)N

Isomeric SMILES

C1CC(=S)N(C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)COC(=O)N

InChI

InChI=1S/C17H16N4O6S2/c18-16(22)26-8-14-19-13(9-29-14)12-6-11(21(24)25)4-3-10(12)7-27-17(23)20-5-1-2-15(20)28/h3-4,6,9H,1-2,5,7-8H2,(H2,18,22)