ethyl 2-[[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]benzoyl]amino]acetate CAS Name: 2-[[[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]benzoyl]amino]acetate Traditional Name: 2-[[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]benzoyl]amino]acetic acid ethyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6S/c1-4-7-21-22(13-12-20(17(3)27)24(21)29)32-14-6-15-33-19-10-8-18(9-11-19)25(30)26-16-23(28)31-5-2/h8-13,29H,4-7,14-16H2,1-3H3,(H,26,30)