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

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxyphenyl]propanoic acid CAS Name: 3-[2-[2-(mercaptomethyl)-4-(4-methoxyphenyl)-1-oxobutoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[4-(4-methoxyphenyl)-2-(sulfanylmethyl)butanoyl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-(mercaptomethyl)-4-(4-methoxyphenyl)butanoyl]oxyphenyl]propionic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CS)C(=O)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CS)C(=O)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C21H24O5S/c1-25-18-11-7-15(8-12-18)6-9-17(14-27)21(24)26-19-5-3-2-4-16(19)10-13-20(22)23/h2-5,7-8,11-12,17,27H,6,9-10,13-14H2,1H3,(H,22,23)