[3-butoxy-2-phenoxy-1-[2-(3-propylsulfanylpropanoylamino)phenoxy]propyl] ethanoate

Systemtic Name: [3-butoxy-2-phenoxy-1-[2-(3-propylsulfanylpropanoylamino)phenoxy]propyl] ethanoate Openeye Name: [3-butoxy-2-phenoxy-1-[2-(3-propylsulfanylpropanoylamino)phenoxy]propyl] acetate CAS Name: acetic acid [3-butoxy-1-[2-[[1-oxo-3-(propylthio)propyl]amino]phenoxy]-2-phenoxypropyl] ester IUPAC Name: [3-butoxy-2-phenoxy-1-[2-(3-propylsulfanylpropanoylamino)phenoxy]propyl] acetate Traditional Name: acetic acid [3-butoxy-2-phenoxy-1-[2-[3-(propylthio)propanoylamino]phenoxy]propyl] ester Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C(OC1=CC=CC=C1NC(=O)CCSCCC)OC(=O)C)OC2=CC=CC=C2

Isomeric SMILES

CCCCOCC(C(OC1=CC=CC=C1NC(=O)CCSCCC)OC(=O)C)OC2=CC=CC=C2

InChI

InChI=1S/C27H37NO6S/c1-4-6-17-31-20-25(33-22-12-8-7-9-13-22)27(32-21(3)29)34-24-15-11-10-14-23(24)28-26(30)16-19-35-18-5-2/h7-15,25,27H,4-6,16-20H2,1-3H3,(H,28,30)