4-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(3,4-dimethylphenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CSC(=N2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CSC(=N2)C(=O)O)C

InChI

InChI=1S/C13H13NO2S2/c1-8-3-4-11(5-9(8)2)17-6-10-7-18-12(14-10)13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)