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

Systemtic Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenoxy]benzoate Openeye Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-vinyloxy]benzoate CAS Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)ethenoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanylethenoxy]benzoate Traditional Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)vinyloxy]benzoic acid methyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3C(=O)OC)C#N

Isomeric SMILES

CCS/C(=C(\C1=CC2=C(C=C1)OCO2)/OC3=CC=CC=C3C(=O)OC)/C#N

InChI

InChI=1S/C20H17NO5S/c1-3-27-18(11-21)19(13-8-9-16-17(10-13)25-12-24-16)26-15-7-5-4-6-14(15)20(22)23-2/h4-10H,3,12H2,1-2H3/b19-18+