3-[[1-(4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[1-(4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-hydroxy-1-(4-methylthiazol-5-yl)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-hydroxy-1-(4-methyl-5-thiazolyl)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-hydroxy-1-(4-methyl-1,3-thiazol-5-yl)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-hydroxy-2-keto-1-(4-methylthiazol-5-yl)ethyl]thio]methyl]benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(C(=O)O)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(SC=N1)C(C(=O)O)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-8-11(21-7-15-8)12(14(18)19)20-6-9-3-2-4-10(5-9)13(16)17/h2-5,7,12H,6H2,1H3,(H,16,17)(H,18,19)