2-ethoxy-3-[4-(3-ethoxy-3-oxidanylidene-propoxy)phenyl]propanoic acid; 2-pentylsulfanylethanamine

Systemtic Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxidanylidene-propoxy)phenyl]propanoic acid; 2-pentylsulfanylethanamine Openeye Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxo-propoxy)phenyl]propanoic acid; 2-pentylsulfanylethanamine CAS Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxopropoxy)phenyl]propanoic acid; 2-(pentylthio)ethanamine IUPAC Name: 2-ethoxy-3-[4-(3-ethoxy-3-oxopropoxy)phenyl]propanoic acid; 2-pentylsulfanylethanamine Traditional Name: 2-(amylthio)ethylamine; 2-ethoxy-3-[4-(3-ethoxy-3-keto-propoxy)phenyl]propionic acid Formula: C23H39NO6S MolecularWeight: 457.62386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O6.C7H17NS/c1-3-20-14(16(18)19)11-12-5-7-13(8-6-12)22-10-9-15(17)21-4-2;1-2-3-4-6-9-7-5-8/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19);2-8H2,1H3