2-ethoxy-3-[4-[3-(4-methoxyphenoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; 3-propylsulfanylpropan-1-amine

Systemtic Name: 2-ethoxy-3-[4-[3-(4-methoxyphenoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; 3-propylsulfanylpropan-1-amine Openeye Name: 2-ethoxy-3-[4-[3-(4-methoxyphenoxy)-3-oxo-propoxy]phenyl]propanoic acid; 3-propylsulfanylpropan-1-amine CAS Name: 2-ethoxy-3-[4-[3-(4-methoxyphenoxy)-3-oxopropoxy]phenyl]propanoic acid; 3-(propylthio)-1-propanamine IUPAC Name: 2-ethoxy-3-[4-[3-(4-methoxyphenoxy)-3-oxopropoxy]phenyl]propanoic acid; 3-propylsulfanylpropan-1-amine Traditional Name: 2-ethoxy-3-[4-[3-keto-3-(4-methoxyphenoxy)propoxy]phenyl]propionic acid; 3-(propylthio)propylamine Formula: C27H39NO7S MolecularWeight: 521.66606

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCSCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H24O7.C6H15NS/c1-3-26-19(21(23)24)14-15-4-6-17(7-5-15)27-13-12-20(22)28-18-10-8-16(25-2)9-11-18;1-2-5-8-6-3-4-7/h4-11,19H,3,12-14H2,1-2H3,(H,23,24);2-7H2,1H3