2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenyl]sulfanylethanamide

Systemtic Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenyl]sulfanylethanamide Openeye Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-vinyl]sulfanylacetamide CAS Name: 2-[[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)ethenyl]thio]acetamide IUPAC Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanylethenyl]sulfanylacetamide Traditional Name: 2-[[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)vinyl]thio]acetamide Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C1=CC2=C(C=C1)OCO2)SCC(=O)N)C#N

Isomeric SMILES

CCS/C(=C(\C1=CC2=C(C=C1)OCO2)/SCC(=O)N)/C#N

InChI

InChI=1S/C14H14N2O3S2/c1-2-20-12(6-15)14(21-7-13(16)17)9-3-4-10-11(5-9)19-8-18-10/h3-5H,2,7-8H2,1H3,(H2,16,17)/b14-12+