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

Systemtic Name: 4-chloranyl-3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanoylamino]benzoic acid Formula: C13H12ClN3O3S2 MolecularWeight: 357.83568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S2/c1-6(21-13-17-16-7(2)22-13)11(18)15-10-5-8(12(19)20)3-4-9(10)14/h3-6H,1-2H3,(H,15,18)(H,19,20)