(5-methyl-2-propan-2-yl-phenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c1-14(2)16-11-10-15(3)13-19(16)27-23(26)17-7-6-12-24-21(17)22-25-18-8-4-5-9-20(18)28-22/h4-14H,1-3H3