ethyl (E)-2-cyano-3-(methylamino)-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(methylamino)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(methylamino)-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-mercapto-3-(methylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(methylamino)-3-sulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-mercapto-3-(methylamino)acrylic acid ethyl ester Formula: C7H10N2O2S MolecularWeight: 186.2315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC)/S)/C#N

InChI

InChI=1S/C7H10N2O2S/c1-3-11-7(10)5(4-8)6(12)9-2/h9,12H,3H2,1-2H3/b6-5+