5-[(3,5-dimethyl-1,2-thiazol-4-yl)sulfanyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(3,5-dimethyl-1,2-thiazol-4-yl)sulfanyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-(3,5-dimethylisothiazol-4-yl)sulfanylbenzene-1,3-dicarboxylic acid CAS Name: 5-[(3,5-dimethyl-4-isothiazolyl)thio]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3,5-dimethyl-1,2-thiazol-4-yl)sulfanyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3,5-dimethylisothiazol-4-yl)thio]isophthalic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)C)SC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NS1)C)SC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO4S2/c1-6-11(7(2)20-14-6)19-10-4-8(12(15)16)3-9(5-10)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)