2-[(3,4-dimethylphenyl)methyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)methyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(3,4-dimethylphenyl)methyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(3,4-dimethylphenyl)methyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(3,4-dimethylphenyl)methyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(3,4-dimethylbenzyl)-1,3-benzothiazole-6-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=NC3=C(S2)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=NC3=C(S2)C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15NO2S/c1-10-3-4-12(7-11(10)2)8-16-18-14-6-5-13(17(19)20)9-15(14)21-16/h3-7,9H,8H2,1-2H3,(H,19,20)