2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

Systemtic Name: 2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Openeye Name: 2-(chloromethyl)-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide CAS Name: 2-(chloromethyl)-N-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: 2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Traditional Name: 2-(chloromethyl)-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)isonicotinamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CCl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CCl

InChI

InChI=1S/C20H20ClN3O3S/c1-26-16-3-2-15(12-5-8-27-9-6-12)18-17(16)23-20(28-18)24-19(25)13-4-7-22-14(10-13)11-21/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24,25)