2-(2-ethanoylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid

Systemtic Name: 2-(2-ethanoylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid CAS Name: 2-[2-(acetylthio)ethyl]-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-6-(4-carbomethoxybenzyl)oxy-benzoic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=C(C(=CC=C1)OCC2=CC=C(C=C2)C(=O)OC)C(=O)O

Isomeric SMILES

CC(=O)SCCC1=C(C(=CC=C1)OCC2=CC=C(C=C2)C(=O)OC)C(=O)O

InChI

InChI=1S/C20H20O6S/c1-13(21)27-11-10-15-4-3-5-17(18(15)19(22)23)26-12-14-6-8-16(9-7-14)20(24)25-2/h3-9H,10-12H2,1-2H3,(H,22,23)