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

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-mercapto-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-mercapto-acrylic acid methyl ester Formula: C5H6N2O2S MolecularWeight: 158.17834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6N2O2S/c1-9-5(8)3(2-6)4(7)10/h10H,7H2,1H3/b4-3+