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

Systemtic Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxidanylidene-propoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine Openeye Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxo-propoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine CAS Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxopropoxy)phenyl]propanoic acid; 3-(phenylthio)-1-propanamine IUPAC Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxopropoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine Traditional Name: 2-ethoxy-3-[4-(3-ethoxy-3-keto-propoxy)phenyl]propionic acid; 3-(phenylthio)propylamine Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC(=O)OCC)C(=O)O.C1=CC=C(C=C1)SCCCN

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC(=O)OCC)C(=O)O.C1=CC=C(C=C1)SCCCN

InChI

InChI=1S/C16H22O6.C9H13NS/c1-3-20-14(16(18)19)11-12-5-7-13(8-6-12)22-10-9-15(17)21-4-2;10-7-4-8-11-9-5-2-1-3-6-9/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19);1-3,5-6H,4,7-8,10H2