propyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate

Systemtic Name: propyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate Openeye Name: propyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(ethylthio)-2-propenoic acid propyl ester IUPAC Name: propyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanylprop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(ethylthio)acrylic acid propyl ester Formula: C15H18ClN3O2S MolecularWeight: 339.84032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=C(NCC1=CN=C(C=C1)Cl)SCC)C#N

Isomeric SMILES

CCCOC(=O)/C(=C(\NCC1=CN=C(C=C1)Cl)/SCC)/C#N

InChI

InChI=1S/C15H18ClN3O2S/c1-3-7-21-15(20)12(8-17)14(22-4-2)19-10-11-5-6-13(16)18-9-11/h5-6,9,19H,3-4,7,10H2,1-2H3/b14-12+