2-[2-chloranyl-4-[3-[2-(4-chlorophenyl)ethynyl]-5-(3-morpholin-4-ylpropoxy)phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-[3-[2-(4-chlorophenyl)ethynyl]-5-(3-morpholin-4-ylpropoxy)phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-chloro-4-[3-[2-(4-chlorophenyl)ethynyl]-5-(3-morpholinopropoxy)phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-chloro-4-[[3-[2-(4-chlorophenyl)ethynyl]-5-[3-(4-morpholinyl)propoxy]phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-chloro-4-[3-[2-(4-chlorophenyl)ethynyl]-5-(3-morpholin-4-ylpropoxy)phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-chloro-4-[[3-[2-(4-chlorophenyl)ethynyl]-5-(3-morpholinopropoxy)phenyl]thio]phenoxy]acetic acid Formula: C29H27Cl2NO5S MolecularWeight: 572.49938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)Cl)SC4=CC(=C(C=C4)OCC(=O)O)Cl

Isomeric SMILES

C1COCCN1CCCOC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)Cl)SC4=CC(=C(C=C4)OCC(=O)O)Cl

InChI

InChI=1S/C29H27Cl2NO5S/c30-23-6-4-21(5-7-23)2-3-22-16-24(36-13-1-10-32-11-14-35-15-12-32)18-26(17-22)38-25-8-9-28(27(31)19-25)37-20-29(33)34/h4-9,16-19H,1,10-15,20H2,(H,33,34)