(3,5-dimethylphenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC3=C(C=C2)N=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC3=C(C=C2)N=CS3)C

InChI

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