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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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