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

Systemtic Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(phenethylamino)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(phenethylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(phenethylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-methylsulfanyl-3-(phenethylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(phenethylamino)acrylic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NCCC1=CC=CC=C1)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\NCCC1=CC=CC=C1)/SC)/C#N

InChI

InChI=1S/C14H16N2O2S/c1-18-14(17)12(10-15)13(19-2)16-9-8-11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3/b13-12+