methyl (E)-2-cyano-3-sulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-mercapto-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-mercapto-acrylic acid methyl ester Formula: C5H5NO2S MolecularWeight: 143.1637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CS)C#N

Isomeric SMILES

COC(=O)/C(=C/S)/C#N

InChI

InChI=1S/C5H5NO2S/c1-8-5(7)4(2-6)3-9/h3,9H,1H3/b4-3+