2-[3-[2-(3,4-dichlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[3-[2-(3,4-dichlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-[2-(3,4-dichlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid CAS Name: 2-[3-[2-[(3,4-dichlorophenyl)thio]phenoxy]-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[3-[2-(3,4-dichlorophenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-[2-[(3,4-dichlorophenyl)thio]phenoxy]pyrrolidino]propionic acid Formula: C19H19Cl2NO3S MolecularWeight: 412.33006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(C1)OC2=CC=CC=C2SC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)O)N1CCC(C1)OC2=CC=CC=C2SC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2NO3S/c1-12(19(23)24)22-9-8-13(11-22)25-17-4-2-3-5-18(17)26-14-6-7-15(20)16(21)10-14/h2-7,10,12-13H,8-9,11H2,1H3,(H,23,24)