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

Systemtic Name: 4-methyl-3-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetyl]amino]benzoic acid Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=NS2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC(=NS2)SC

InChI

InChI=1S/C13H13N3O3S3/c1-7-3-4-8(11(18)19)5-9(7)14-10(17)6-21-13-15-12(20-2)16-22-13/h3-5H,6H2,1-2H3,(H,14,17)(H,18,19)