methyl (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(homoveratrylamino)-3-(methylthio)acrylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=C(C#N)C(=O)OC)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN/C(=C(/C#N)\C(=O)OC)/SC)OC

InChI

InChI=1S/C16H20N2O4S/c1-20-13-6-5-11(9-14(13)21-2)7-8-18-15(23-4)12(10-17)16(19)22-3/h5-6,9,18H,7-8H2,1-4H3/b15-12+