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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3S2/c1-8-15-16-13(21-8)20-7-11(17)14-6-9-2-4-10(5-3-9)12(18)19/h2-5H,6-7H2,1H3,(H,14,17)(H,18,19)