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

Systemtic Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]benzoic acid Openeye Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]benzoic acid CAS Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)thio]benzoic acid IUPAC Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]benzoic acid Traditional Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)thio]benzoic acid Formula: C15H11NO2S2 MolecularWeight: 301.38334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H11NO2S2/c1-9-5-4-8-12-13(9)16-15(20-12)19-11-7-3-2-6-10(11)14(17)18/h2-8H,1H3,(H,17,18)