2-[4-[3-but-2-ynoxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-but-2-ynoxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-but-2-ynoxy-5-(3-morpholinoprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3-but-2-ynoxy-5-[3-(4-morpholinyl)prop-1-ynyl]phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-but-2-ynoxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3-but-2-ynoxy-5-(3-morpholinoprop-1-ynyl)phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC(=CC(=C1)C#CCN2CCOCC2)SC3=CC(=C(C=C3)OCC(=O)O)C

Isomeric SMILES

CC#CCOC1=CC(=CC(=C1)C#CCN2CCOCC2)SC3=CC(=C(C=C3)OCC(=O)O)C

InChI

InChI=1S/C26H27NO5S/c1-3-4-12-31-22-16-21(6-5-9-27-10-13-30-14-11-27)17-24(18-22)33-23-7-8-25(20(2)15-23)32-19-26(28)29/h7-8,15-18H,9-14,19H2,1-2H3,(H,28,29)