2-[3-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenoxy]acetic acid CAS Name: 2-[3-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylthio]phenoxy]acetic acid IUPAC Name: 2-[3-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[3-[3-(3-phenyl-7-propyl-indoxazen-6-yl)oxypropylthio]phenoxy]acetic acid Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=CC(=C4)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=CC(=C4)OCC(=O)O

InChI

InChI=1S/C27H27NO5S/c1-2-8-22-24(14-13-23-26(28-33-27(22)23)19-9-4-3-5-10-19)31-15-7-16-34-21-12-6-11-20(17-21)32-18-25(29)30/h3-6,9-14,17H,2,7-8,15-16,18H2,1H3,(H,29,30)