2-[[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]benzoyl]amino]acetic acid Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C23H27NO6S/c1-3-5-19-20(11-10-18(15(2)25)22(19)28)30-12-4-13-31-17-8-6-16(7-9-17)23(29)24-14-21(26)27/h6-11,28H,3-5,12-14H2,1-2H3,(H,24,29)(H,26,27)