2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylthio)benzoic acid IUPAC Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylthio)benzoic acid Formula: C15H15NO2S2 MolecularWeight: 305.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H15NO2S2/c17-15(18)10-5-1-3-7-12(10)19-9-14-16-11-6-2-4-8-13(11)20-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,18)