2-(4-fluorophenyl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]benzoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]benzoic acid Openeye Name: 2-(4-fluorophenyl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methoxy]benzoic acid CAS Name: 2-(4-fluorophenyl)-4-[(4-mercapto-1-methyl-2-pyrrolidinyl)methoxy]benzoic acid IUPAC Name: 2-(4-fluorophenyl)-4-[(1-methyl-4-sulfanylpyrrolidin-2-yl)methoxy]benzoic acid Traditional Name: 2-(4-fluorophenyl)-4-[(4-mercapto-1-methyl-pyrrolidin-2-yl)methoxy]benzoic acid Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1COC2=CC(=C(C=C2)C(=O)O)C3=CC=C(C=C3)F)S

Isomeric SMILES

CN1CC(CC1COC2=CC(=C(C=C2)C(=O)O)C3=CC=C(C=C3)F)S

InChI

InChI=1S/C19H20FNO3S/c1-21-10-16(25)8-14(21)11-24-15-6-7-17(19(22)23)18(9-15)12-2-4-13(20)5-3-12/h2-7,9,14,16,25H,8,10-11H2,1H3,(H,22,23)