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

Systemtic Name: methyl (E)-3-bromanyl-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-bromo-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-bromo-2-cyano-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-bromo-2-cyano-3-(methylthio)acrylic acid methyl ester Formula: C6H6BrNO2S MolecularWeight: 236.08634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6BrNO2S/c1-10-6(9)4(3-8)5(7)11-2/h1-2H3/b5-4-