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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-23-17(21)14(10-19)12-8-6-4-5-7-9-13(12)16(25-3)15(11-20)18(22)24-2/h14H,4-9H2,1-3H3/b13-12-,16-15+