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

Systemtic Name: ethyl (E)-2-cyano-3-(prop-2-enylamino)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-(allylamino)-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-mercapto-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(prop-2-enylamino)-3-sulfanylprop-2-enoate Traditional Name: (E)-3-(allylamino)-2-cyano-3-mercapto-acrylic acid ethyl ester Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2S/c1-3-5-11-8(14)7(6-10)9(12)13-4-2/h3,11,14H,1,4-5H2,2H3/b8-7+