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

Systemtic Name: 3-[2-[3-[1-(2-methyl-4-phenylazanyl-phenoxy)propan-2-yloxy]-3-oxidanylidene-propyl]sulfanylethylsulfanyl]propanoic acid Openeye Name: 3-[2-[3-[2-(4-anilino-2-methyl-phenoxy)-1-methyl-ethoxy]-3-oxo-propyl]sulfanylethylsulfanyl]propanoic acid CAS Name: 3-[2-[[3-[1-(4-anilino-2-methylphenoxy)propan-2-yloxy]-3-oxopropyl]thio]ethylthio]propanoic acid IUPAC Name: 3-[2-[3-[1-(4-anilino-2-methylphenoxy)propan-2-yloxy]-3-oxopropyl]sulfanylethylsulfanyl]propanoic acid Traditional Name: 3-[2-[[3-[2-(4-anilino-2-methyl-phenoxy)-1-methyl-ethoxy]-3-keto-propyl]thio]ethylthio]propionic acid Formula: C24H31NO5S2 MolecularWeight: 477.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC=CC=C2)OCC(C)OC(=O)CCSCCSCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC=CC=C2)OCC(C)OC(=O)CCSCCSCCC(=O)O

InChI

InChI=1S/C24H31NO5S2/c1-18-16-21(25-20-6-4-3-5-7-20)8-9-22(18)29-17-19(2)30-24(28)11-13-32-15-14-31-12-10-23(26)27/h3-9,16,19,25H,10-15,17H2,1-2H3,(H,26,27)