2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C28H23N3O5S2 MolecularWeight: 545.62932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CS5)OC

InChI

InChI=1S/C28H23N3O5S2/c1-33-22-7-5-17(12-24(22)34-2)19-14-21(26-4-3-11-37-26)31-28(20(19)15-29)38-16-27(32)30-18-6-8-23-25(13-18)36-10-9-35-23/h3-8,11-14H,9-10,16H2,1-2H3,(H,30,32)