4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

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