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

Systemtic Name: methyl (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)cycloocten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)cycloocten-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)-1-cyclooctenyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)cycloocten-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)cycloocten-1-yl]-3-(methylthio)acrylic acid methyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=C(CCCCCC1)C(C#N)C#N)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\C\1=C(\CCCCCC1)/C(C#N)C#N)/SC)/C#N

InChI

InChI=1S/C17H19N3O2S/c1-22-17(21)15(11-20)16(23-2)14-8-6-4-3-5-7-13(14)12(9-18)10-19/h12H,3-8H2,1-2H3/b14-13-,16-15+