2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCSC2=CC=CC=C2F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCSC2=CC=CC=C2F

InChI

InChI=1S/C20H19FN2O2S/c1-23(2)17-9-7-15(8-10-17)13-16(14-22)20(24)25-11-12-26-19-6-4-3-5-18(19)21/h3-10,13H,11-12H2,1-2H3/b16-13+