methyl 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)ethenyl]benzoate

Systemtic Name: methyl 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)ethenyl]benzoate Openeye Name: methyl 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)vinyl]benzoate CAS Name: 2-(4-fluorophenyl)-4-[(E)-2-[1-methyl-4-(methylthio)-2-pyrrolidinyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethenyl]benzoate Traditional Name: 2-(4-fluorophenyl)-4-[(E)-2-[1-methyl-4-(methylthio)pyrrolidin-2-yl]vinyl]benzoic acid methyl ester Formula: C22H24FNO2S MolecularWeight: 385.494863

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C=CC2=CC(=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F)SC

Isomeric SMILES

CN1CC(CC1/C=C/C2=CC(=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C22H24FNO2S/c1-24-14-19(27-3)13-18(24)10-4-15-5-11-20(22(25)26-2)21(12-15)16-6-8-17(23)9-7-16/h4-12,18-19H,13-14H2,1-3H3/b10-4+