ethyl (E)-3-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-[(4-chloro-6-methoxy-pyrimidin-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-chloro-6-methoxypyrimidin-2-yl)amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(4-chloro-6-methoxy-pyrimidin-2-yl)amino]-2-cyano-3-(methylthio)acrylic acid ethyl ester Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=NC(=CC(=N1)Cl)OC)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=NC(=CC(=N1)Cl)OC)/SC)/C#N

InChI

InChI=1S/C12H13ClN4O3S/c1-4-20-11(18)7(6-14)10(21-3)17-12-15-8(13)5-9(16-12)19-2/h5H,4H2,1-3H3,(H,15,16,17)/b10-7+