pyridin-3-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: pyridin-3-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: 3-pyridyl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid 3-pyridyl ester Formula: C18H11N3O2S MolecularWeight: 333.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=CN=CC=C4

InChI

InChI=1S/C18H11N3O2S/c22-18(23-12-5-3-9-19-11-12)13-6-4-10-20-16(13)17-21-14-7-1-2-8-15(14)24-17/h1-11H