2-ethanoylsulfanyl-4-oxidanylidene-4-[4-(4-propan-2-ylphenoxy)phenyl]butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-oxidanylidene-4-[4-(4-propan-2-ylphenoxy)phenyl]butanoic acid Openeye Name: 2-acetylsulfanyl-4-[4-(4-isopropylphenoxy)phenyl]-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-oxo-4-[4-(4-propan-2-ylphenoxy)phenyl]butanoic acid IUPAC Name: 2-acetylsulfanyl-4-oxo-4-[4-(4-propan-2-ylphenoxy)phenyl]butanoic acid Traditional Name: 2-(acetylthio)-4-[4-(4-isopropylphenoxy)phenyl]-4-keto-butyric acid Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC(=O)C

InChI

InChI=1S/C21H22O5S/c1-13(2)15-4-8-17(9-5-15)26-18-10-6-16(7-11-18)19(23)12-20(21(24)25)27-14(3)22/h4-11,13,20H,12H2,1-3H3,(H,24,25)