dimethyl 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylate

Systemtic Name: dimethyl 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylate Openeye Name: dimethyl 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylate CAS Name: 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylate Traditional Name: 5-phenyl-3H-1,3,4-thiadiazole-2,2-dicarboxylic acid dimethyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C12H12N2O4S/c1-17-10(15)12(11(16)18-2)14-13-9(19-12)8-6-4-3-5-7-8/h3-7,14H,1-2H3