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

Systemtic Name: 2-chloranyl-5-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(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)SCCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S2/c1-7-16-17-13(22-7)21-5-4-11(18)15-8-2-3-10(14)9(6-8)12(19)20/h2-3,6H,4-5H2,1H3,(H,15,18)(H,19,20)