(2S)-3-[5-chloranyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoic acid

Systemtic Name: (2S)-3-[5-chloranyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoic acid Openeye Name: (2S)-3-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-thienyl)propanoic acid CAS Name: (2S)-3-[5-chloro-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid IUPAC Name: (2S)-3-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid Traditional Name: (2S)-3-[5-chloro-2-(2-pyrrolidinoethoxy)phenyl]-2-(2-thienyl)propionic acid Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)Cl)CC(C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)Cl)C[C@H](C3=CC=CS3)C(=O)O

InChI

InChI=1S/C19H22ClNO3S/c20-15-5-6-17(24-10-9-21-7-1-2-8-21)14(12-15)13-16(19(22)23)18-4-3-11-25-18/h3-6,11-12,16H,1-2,7-10,13H2,(H,22,23)/t16-/m1/s1