2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(4-methoxy-1,3-benzothiazol-2-yl)nicotinamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H17N3O4S2/c1-27-16-5-2-6-18-19(16)24-22(31-18)25-20(26)14-4-3-9-23-21(14)30-13-7-8-15-17(12-13)29-11-10-28-15/h2-9,12H,10-11H2,1H3,(H,24,25,26)