(2R)-3-(3-chloranyl-5-ethoxy-4-pentoxy-phenyl)-2-thiophen-2-yl-propanoic acid

Systemtic Name: (2R)-3-(3-chloranyl-5-ethoxy-4-pentoxy-phenyl)-2-thiophen-2-yl-propanoic acid Openeye Name: (2R)-3-(3-chloro-5-ethoxy-4-pentoxy-phenyl)-2-(2-thienyl)propanoic acid CAS Name: (2R)-3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid IUPAC Name: (2R)-3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid Traditional Name: (2R)-3-(4-amoxy-3-chloro-5-ethoxy-phenyl)-2-(2-thienyl)propionic acid Formula: C20H25ClO4S MolecularWeight: 396.9281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)CC(C2=CC=CS2)C(=O)O)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CS2)C(=O)O)OCC

InChI

InChI=1S/C20H25ClO4S/c1-3-5-6-9-25-19-16(21)12-14(13-17(19)24-4-2)11-15(20(22)23)18-8-7-10-26-18/h7-8,10,12-13,15H,3-6,9,11H2,1-2H3,(H,22,23)/t15-/m0/s1