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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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