ethyl (E)-2-cyano-3-(2-methylpropylamino)-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(2-methylpropylamino)-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(isobutylamino)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(2-methylpropylamino)-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-methylpropylamino)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(isobutylamino)-3-(methylthio)acrylic acid ethyl ester Formula: C11H18N2O2S MolecularWeight: 242.33782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O2S/c1-5-15-11(14)9(6-12)10(16-4)13-7-8(2)3/h8,13H,5,7H2,1-4H3/b10-9+