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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzoic acid Openeye Name: 4-(4-methylthiazol-2-yl)sulfanylbenzoic acid CAS Name: 4-[(4-methyl-2-thiazolyl)thio]benzoic acid IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzoic acid Traditional Name: 4-[(4-methylthiazol-2-yl)thio]benzoic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H9NO2S2/c1-7-6-15-11(12-7)16-9-4-2-8(3-5-9)10(13)14/h2-6H,1H3,(H,13,14)