4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid Formula: C12H11NO2S2 MolecularWeight: 265.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H11NO2S2/c1-8-13-10(6-16-8)7-17-11-4-2-9(3-5-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)