propan-2-yl (E)-2-cyano-3-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]acrylic acid isopropyl ester Formula: C22H22FNO2S MolecularWeight: 383.478983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)OC(C)C)CSC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)OC(C)C)CSC2=CC=C(C=C2)F)C

InChI

InChI=1S/C22H22FNO2S/c1-14(2)26-22(25)18(12-24)10-17-11-19(16(4)9-15(17)3)13-27-21-7-5-20(23)6-8-21/h5-11,14H,13H2,1-4H3/b18-10+