methyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohexen-1-yl]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohexen-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohexen-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(dicyanomethyl)-1-cyclohexenyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohexen-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(dicyanomethyl)cyclohexen-1-yl]-3-(methylthio)acrylic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=C(CCCC1)C(C#N)C#N)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\C1=C(CCCC1)C(C#N)C#N)/SC)/C#N

InChI

InChI=1S/C15H15N3O2S/c1-20-15(19)13(9-18)14(21-2)12-6-4-3-5-11(12)10(7-16)8-17/h10H,3-6H2,1-2H3/b14-13+