2-(ethanoylsulfanylmethyl)-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-methoxy-4-p-anisyloxy-phenyl)butyric acid Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2=CC=C(C=C2)OC)OC)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2=CC=C(C=C2)OC)OC)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C22H26O6S/c1-14(19(22(24)25)13-29-15(2)23)17-7-10-20(21(11-17)27-4)28-12-16-5-8-18(26-3)9-6-16/h5-11,14,19H,12-13H2,1-4H3,(H,24,25)