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

Systemtic Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenyl]sulfanylethanoate Openeye Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-vinyl]sulfanylacetate CAS Name: 2-[[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)ethenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanylethenyl]sulfanylacetate Traditional Name: 2-[[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)vinyl]thio]acetic acid methyl ester Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4S2/c1-3-21-13(7-16)15(22-8-14(17)18-2)10-4-5-11-12(6-10)20-9-19-11/h4-6H,3,8-9H2,1-2H3/b15-13+