(E)-2-cyano-3-methylsulfanyl-3-(prop-2-enylamino)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-methylsulfanyl-3-(prop-2-enylamino)prop-2-enoic acid Openeye Name: (E)-3-(allylamino)-2-cyano-3-methylsulfanyl-prop-2-enoic acid CAS Name: (E)-2-cyano-3-(methylthio)-3-(prop-2-enylamino)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-methylsulfanyl-3-(prop-2-enylamino)prop-2-enoic acid Traditional Name: (E)-3-(allylamino)-2-cyano-3-(methylthio)acrylic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)O)NCC=C

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)O)/NCC=C

InChI

InChI=1S/C8H10N2O2S/c1-3-4-10-7(13-2)6(5-9)8(11)12/h3,10H,1,4H2,2H3,(H,11,12)/b7-6+