dimethyl 2-(4-nitrophenyl)-5-sulfanylidene-1,3,4-thiadiazolidine-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(4-nitrophenyl)-5-sulfanylidene-1,3,4-thiadiazolidine-3,4-dicarboxylate Openeye Name: dimethyl 2-(4-nitrophenyl)-5-thioxo-1,3,4-thiadiazolidine-3,4-dicarboxylate CAS Name: 2-(4-nitrophenyl)-5-sulfanylidene-1,3,4-thiadiazolidine-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-nitrophenyl)-5-sulfanylidene-1,3,4-thiadiazolidine-3,4-dicarboxylate Traditional Name: 2-(4-nitrophenyl)-5-thioxo-1,3,4-thiadiazolidine-3,4-dicarboxylic acid dimethyl ester Formula: C12H11N3O6S2 MolecularWeight: 357.36224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(SC(=S)N1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1C(SC(=S)N1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6S2/c1-20-10(16)13-9(23-12(22)14(13)11(17)21-2)7-3-5-8(6-4-7)15(18)19/h3-6,9H,1-2H3