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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: (2-methoxy-2-oxo-ethyl) (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(methylthio)-2-propenoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(methylthio)acrylic acid (2-keto-2-methoxy-ethyl) ester Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C(=C(NCC1=CN=C(C=C1)Cl)SC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O4S/c1-21-12(19)8-22-14(20)10(5-16)13(23-2)18-7-9-3-4-11(15)17-6-9/h3-4,6,18H,7-8H2,1-2H3/b13-10+