methyl 4-methyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(1,3,4-thiadiazol-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=CS2

InChI

InChI=1S/C13H13N3O3S2/c1-8-3-4-9(12(18)19-2)5-10(8)15-11(17)6-20-13-16-14-7-21-13/h3-5,7H,6H2,1-2H3,(H,15,17)