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

Systemtic Name: 2-ethenyl-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Openeye Name: N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-2-vinyl-pyridine-4-carboxamide CAS Name: 2-ethenyl-N-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: 2-ethenyl-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Traditional Name: N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-2-vinyl-isonicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-3-15-12-14(6-9-22-15)20(25)24-21-23-18-17(26-2)5-4-16(19(18)28-21)13-7-10-27-11-8-13/h3-6,9,12-13H,1,7-8,10-11H2,2H3,(H,23,24,25)