ethyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=C(CCCCC1)C(C#N)C#N)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C1=C(CCCCC1)C(C#N)C#N)/SC)/C#N

InChI

InChI=1S/C17H19N3O2S/c1-3-22-17(21)15(11-20)16(23-2)14-8-6-4-5-7-13(14)12(9-18)10-19/h12H,3-8H2,1-2H3/b16-15+