methyl (E)-2-cyano-3-(cyclohexylamino)-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(cyclohexylamino)-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(cyclohexylamino)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(cyclohexylamino)-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(cyclohexylamino)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(cyclohexylamino)-3-(methylthio)acrylic acid methyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1CCCCC1)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\NC1CCCCC1)/SC)/C#N

InChI

InChI=1S/C12H18N2O2S/c1-16-12(15)10(8-13)11(17-2)14-9-6-4-3-5-7-9/h9,14H,3-7H2,1-2H3/b11-10+