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

Systemtic Name: methyl (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-oxo-ethyl)cyclohepten-1-yl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-oxoethyl)-1-cycloheptenyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-oxoethyl)cyclohepten-1-yl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-keto-ethyl)cyclohepten-1-yl]-3-(methylthio)acrylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-4-24-18(22)14(10-19)12-8-6-5-7-9-13(12)16(25-3)15(11-20)17(21)23-2/h14H,4-9H2,1-3H3/b16-15+