(4-nitrophenyl)methyl 4-oxidanyl-2-(1,3,4-thiadiazol-2-ylcarbothioyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-oxidanyl-2-(1,3,4-thiadiazol-2-ylcarbothioyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-(1,3,4-thiadiazole-2-carbothioyl)pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[sulfanylidene(1,3,4-thiadiazol-2-yl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-(1,3,4-thiadiazole-2-carbothioyl)pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-(1,3,4-thiadiazole-2-carbothioyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H14N4O5S2 MolecularWeight: 394.42546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=S)C2=NN=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C(=S)C2=NN=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H14N4O5S2/c20-11-5-12(13(25)14-17-16-8-26-14)18(6-11)15(21)24-7-9-1-3-10(4-2-9)19(22)23/h1-4,8,11-12,20H,5-7H2