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

Systemtic Name: prop-2-enyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)OCC=C)NCC1=CN=C(C=C1)Cl

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)OCC=C)/NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C14H14ClN3O2S/c1-3-6-20-14(19)11(7-16)13(21-2)18-9-10-4-5-12(15)17-8-10/h3-5,8,18H,1,6,9H2,2H3/b13-11+