methyl 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenoxy]-4-methoxy-benzoate

Systemtic Name: methyl 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-ethenoxy]-4-methoxy-benzoate Openeye Name: methyl 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanyl-vinyloxy]-4-methoxy-benzoate CAS Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)ethenoxy]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-ethylsulfanylethenoxy]-4-methoxybenzoate Traditional Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)-2-cyano-2-(ethylthio)vinyloxy]-4-methoxy-benzoic acid methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C1=CC2=C(C=C1)OCO2)OC3=C(C=CC(=C3)OC)C(=O)OC)C#N

Isomeric SMILES

CCS/C(=C(/C1=CC2=C(C=C1)OCO2)\OC3=C(C=CC(=C3)OC)C(=O)OC)/C#N

InChI

InChI=1S/C21H19NO6S/c1-4-29-19(11-22)20(13-5-8-16-18(9-13)27-12-26-16)28-17-10-14(24-2)6-7-15(17)21(23)25-3/h5-10H,4,12H2,1-3H3/b20-19-