(3,5-dimethylphenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: (3,5-dimethylphenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid (3,5-dimethylphenyl) ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H16N2O2S/c1-13-10-14(2)12-15(11-13)25-21(24)16-6-5-9-22-19(16)20-23-17-7-3-4-8-18(17)26-20/h3-12H,1-2H3