3-[2-[3-oxidanylidene-3-[1-(4-phenylazanylphenoxy)propan-2-yloxy]propyl]sulfanylethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-[3-oxidanylidene-3-[1-(4-phenylazanylphenoxy)propan-2-yloxy]propyl]sulfanylethylsulfanyl]propanoic acid Openeye Name: 3-[2-[3-[2-(4-anilinophenoxy)-1-methyl-ethoxy]-3-oxo-propyl]sulfanylethylsulfanyl]propanoic acid CAS Name: 3-[2-[[3-[1-(4-anilinophenoxy)propan-2-yloxy]-3-oxopropyl]thio]ethylthio]propanoic acid IUPAC Name: 3-[2-[3-[1-(4-anilinophenoxy)propan-2-yloxy]-3-oxopropyl]sulfanylethylsulfanyl]propanoic acid Traditional Name: 3-[2-[[3-[2-(4-anilinophenoxy)-1-methyl-ethoxy]-3-keto-propyl]thio]ethylthio]propionic acid Formula: C23H29NO5S2 MolecularWeight: 463.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)NC2=CC=CC=C2)OC(=O)CCSCCSCCC(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)NC2=CC=CC=C2)OC(=O)CCSCCSCCC(=O)O

InChI

InChI=1S/C23H29NO5S2/c1-18(29-23(27)12-14-31-16-15-30-13-11-22(25)26)17-28-21-9-7-20(8-10-21)24-19-5-3-2-4-6-19/h2-10,18,24H,11-17H2,1H3,(H,25,26)