(2,3,6-trimethylphenyl) 1,3-benzothiazole-6-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1,3-benzothiazole-6-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC3=C(C=C2)N=CS3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC3=C(C=C2)N=CS3)C

InChI

InChI=1S/C17H15NO2S/c1-10-4-5-11(2)16(12(10)3)20-17(19)13-6-7-14-15(8-13)21-9-18-14/h4-9H,1-3H3