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

Systemtic Name: ethyl (E)-2-cyano-3-(ethylamino)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(ethylamino)-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(ethylamino)-3-mercapto-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(ethylamino)-3-sulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(ethylamino)-3-mercapto-acrylic acid ethyl ester Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C#N)C(=O)OCC)S

Isomeric SMILES

CCN/C(=C(/C#N)\C(=O)OCC)/S

InChI

InChI=1S/C8H12N2O2S/c1-3-10-7(13)6(5-9)8(11)12-4-2/h10,13H,3-4H2,1-2H3/b7-6+