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

Systemtic Name: 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)ethenyl]benzoic acid Openeye Name: 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)vinyl]benzoic acid CAS Name: 2-(4-fluorophenyl)-4-[(E)-2-[1-methyl-4-(methylthio)-2-pyrrolidinyl]ethenyl]benzoic acid IUPAC Name: 2-(4-fluorophenyl)-4-[(E)-2-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethenyl]benzoic acid Traditional Name: 2-(4-fluorophenyl)-4-[(E)-2-[1-methyl-4-(methylthio)pyrrolidin-2-yl]vinyl]benzoic acid Formula: C21H22FNO2S MolecularWeight: 371.468283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO2S/c1-23-13-18(26-2)12-17(23)9-3-14-4-10-19(21(24)25)20(11-14)15-5-7-16(22)8-6-15/h3-11,17-18H,12-13H2,1-2H3,(H,24,25)/b9-3+