ethyl (E)-3-[(2-chloranyl-4-methyl-pyridin-3-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(2-chloranyl-4-methyl-pyridin-3-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-[(2-chloro-4-methyl-3-pyridyl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2-chloro-4-methylpyridin-3-yl)amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(2-chloro-4-methyl-3-pyridyl)amino]-2-cyano-3-(methylthio)acrylic acid ethyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=C(C=CN=C1Cl)C)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=C(C=CN=C1Cl)C)/SC)/C#N

InChI

InChI=1S/C13H14ClN3O2S/c1-4-19-13(18)9(7-15)12(20-3)17-10-8(2)5-6-16-11(10)14/h5-6,17H,4H2,1-3H3/b12-9+