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

Systemtic Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Openeye Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzoic acid CAS Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzoic acid IUPAC Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Traditional Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzoic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H15NO2S/c17-15(18)11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)19-14/h3-5,8H,1-2,6-7,9H2,(H,17,18)