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

Systemtic Name: 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S2/c1-6-14-15-12(21-6)20-5-10(17)13-7-2-3-9(16)8(4-7)11(18)19/h2-4,16H,5H2,1H3,(H,13,17)(H,18,19)