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

Systemtic Name: methyl (E)-2-cyano-3-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H18FNO2S MolecularWeight: 355.425823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FNO2S/c1-13-8-15(10-16(11-22)20(23)24-3)14(2)17(9-13)12-25-19-6-4-18(21)5-7-19/h4-10H,12H2,1-3H3/b16-10+