2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethoxyphenyl)nicotinamide Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C22H20N2O5S/c1-26-15-10-14(11-16(12-15)27-2)24-21(25)18-4-3-7-23-22(18)30-17-5-6-19-20(13-17)29-9-8-28-19/h3-7,10-13H,8-9H2,1-2H3,(H,24,25)