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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: (2-ethoxy-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-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-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-ethoxy-2-keto-ethyl) ester Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4S/c1-3-22-13(20)9-23-15(21)11(6-17)14(24-2)19-8-10-4-5-12(16)18-7-10/h4-5,7,19H,3,8-9H2,1-2H3/b14-11+