2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid

Systemtic Name: 2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Openeye Name: 2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid CAS Name: 2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid IUPAC Name: 2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Traditional Name: 2-(4,5-dihydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)SC(=N2)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=C(C=C1)SC(=N2)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H13NO2S/c17-15(18)11-6-2-1-5-10(11)9-14-16-12-7-3-4-8-13(12)19-14/h1-2,4-6,8H,3,7,9H2,(H,17,18)