3-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H11NO2S2/c17-14(18)11-5-3-4-10(8-11)9-19-15-16-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18)