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

Systemtic Name: ethyl (E)-2-cyano-3-[(1Z)-2-(dicyanomethyl)cycloocten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-3-23-18(22)16(12-21)17(24-2)15-9-7-5-4-6-8-14(15)13(10-19)11-20/h13H,3-9H2,1-2H3/b15-14-,17-16+