4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-pyridin-3-yl-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-pyridin-3-yl-4H-pyridine-3-carboxylic acid Openeye Name: 4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-(3-pyridyl)-4H-pyridine-3-carboxylic acid CAS Name: 4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-(3-pyridinyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-pyridin-3-yl-4H-pyridine-3-carboxylic acid Traditional Name: 4-(1,3-benzothiazol-7-yl)-2,6-dimethyl-1-(3-pyridyl)-4H-pyridine-3-carboxylic acid Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1C2=CN=CC=C2)C)C(=O)O)C3=C4C(=CC=C3)N=CS4

Isomeric SMILES

CC1=CC(C(=C(N1C2=CN=CC=C2)C)C(=O)O)C3=C4C(=CC=C3)N=CS4

InChI

InChI=1S/C20H17N3O2S/c1-12-9-16(15-6-3-7-17-19(15)26-11-22-17)18(20(24)25)13(2)23(12)14-5-4-8-21-10-14/h3-11,16H,1-2H3,(H,24,25)