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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=NN=C(S2)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=NN=C(S2)C

InChI

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