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

Systemtic Name: 2-ethoxy-3-[4-(3-methoxy-3-oxidanylidene-propoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine Openeye Name: 2-ethoxy-3-[4-(3-methoxy-3-oxo-propoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine CAS Name: 2-ethoxy-3-[4-(3-methoxy-3-oxopropoxy)phenyl]propanoic acid; 3-(phenylthio)-1-propanamine IUPAC Name: 2-ethoxy-3-[4-(3-methoxy-3-oxopropoxy)phenyl]propanoic acid; 3-phenylsulfanylpropan-1-amine Traditional Name: 2-ethoxy-3-[4-(3-keto-3-methoxy-propoxy)phenyl]propionic acid; 3-(phenylthio)propylamine Formula: C24H33NO6S MolecularWeight: 463.58692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O6.C9H13NS/c1-3-20-13(15(17)18)10-11-4-6-12(7-5-11)21-9-8-14(16)19-2;10-7-4-8-11-9-5-2-1-3-6-9/h4-7,13H,3,8-10H2,1-2H3,(H,17,18);1-3,5-6H,4,7-8,10H2