methyl 4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl 4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)OC)(C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)OC)(C)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3S/c1-9(16)15-13(2,10-7-5-4-6-8-10)19-11(14-15)12(17)18-3/h4-8H,1-3H3