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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[(6-fluoranylpyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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-ethoxyethyl ester Formula: C15H18FN3O3S MolecularWeight: 339.385123

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CN=C(C=C1)F)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CN=C(C=C1)F)/SC)/C#N

InChI

InChI=1S/C15H18FN3O3S/c1-3-21-6-7-22-15(20)12(8-17)14(23-2)19-10-11-4-5-13(16)18-9-11/h4-5,9,19H,3,6-7,10H2,1-2H3/b14-12+