ethyl (Z)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (Z)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (Z)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (Z)-3-[(6-chloro-3-pyridyl)methylamino]-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(NCC1=CN=C(C=C1)Cl)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/NCC1=CN=C(C=C1)Cl)\SC)/C#N

InChI

InChI=1S/C13H14ClN3O2S/c1-3-19-13(18)10(6-15)12(20-2)17-8-9-4-5-11(14)16-7-9/h4-5,7,17H,3,8H2,1-2H3/b12-10-