2-(3-methylphenoxy)ethyl (E)-2-cyano-3-[(6-fluoranylpyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-[(6-fluoranylpyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-[(6-fluoro-3-pyridyl)methylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(6-fluoro-3-pyridinyl)methylamino]-3-(methylthio)-2-propenoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-[(6-fluoropyridin-3-yl)methylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(6-fluoro-3-pyridyl)methylamino]-3-(methylthio)acrylic acid 2-(3-methylphenoxy)ethyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C(=C(NCC2=CN=C(C=C2)F)SC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)/C(=C(\NCC2=CN=C(C=C2)F)/SC)/C#N

InChI

InChI=1S/C20H20FN3O3S/c1-14-4-3-5-16(10-14)26-8-9-27-20(25)17(11-22)19(28-2)24-13-15-6-7-18(21)23-12-15/h3-7,10,12,24H,8-9,13H2,1-2H3/b19-17+