methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl 2-(2-methoxy-2-oxo-ethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-10(16)8-13(12(17)19-2)15-14-11(20-13)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3