3-[2-[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propanoic acid CAS Name: 3-[2-[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)-1-oxobutoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propionic acid Formula: C23H26O6S MolecularWeight: 430.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=C(C=C1)OC)C(=O)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC(=O)SCC(CCC1=CC=C(C=C1)OC)C(=O)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C23H26O6S/c1-16(24)30-15-19(10-7-17-8-12-20(28-2)13-9-17)23(27)29-21-6-4-3-5-18(21)11-14-22(25)26/h3-6,8-9,12-13,19H,7,10-11,14-15H2,1-2H3,(H,25,26)