2-[2-chloranyl-4-[3-(3-morpholin-4-ylpropoxy)-5-pent-1-ynyl-phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-[3-(3-morpholin-4-ylpropoxy)-5-pent-1-ynyl-phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-chloro-4-[3-(3-morpholinopropoxy)-5-pent-1-ynyl-phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-chloro-4-[[3-[3-(4-morpholinyl)propoxy]-5-pent-1-ynylphenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-chloro-4-[3-(3-morpholin-4-ylpropoxy)-5-pent-1-ynylphenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-chloro-4-[[3-(3-morpholinopropoxy)-5-pent-1-ynyl-phenyl]thio]phenoxy]acetic acid Formula: C26H30ClNO5S MolecularWeight: 504.0381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)O)Cl)OCCCN3CCOCC3

Isomeric SMILES

CCCC#CC1=CC(=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)O)Cl)OCCCN3CCOCC3

InChI

InChI=1S/C26H30ClNO5S/c1-2-3-4-6-20-15-21(32-12-5-9-28-10-13-31-14-11-28)17-23(16-20)34-22-7-8-25(24(27)18-22)33-19-26(29)30/h7-8,15-18H,2-3,5,9-14,19H2,1H3,(H,29,30)