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

Systemtic Name: methyl (E)-2-cyano-3-[2-(dicyanomethyl)cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-21-16(20)14(10-19)15(22-2)13-7-5-3-4-6-12(13)11(8-17)9-18/h11H,3-7H2,1-2H3/b15-14+