methyl 2-(2-ethanoylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoate

Systemtic Name: methyl 2-(2-ethanoylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoate Openeye Name: methyl 2-(2-acetylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoate CAS Name: 2-[2-(acetylthio)ethyl]-6-[(4-methoxycarbonylphenyl)methoxy]benzoic acid methyl ester IUPAC Name: methyl 2-(2-acetylsulfanylethyl)-6-[(4-methoxycarbonylphenyl)methoxy]benzoate Traditional Name: 2-[2-(acetylthio)ethyl]-6-(4-carbomethoxybenzyl)oxy-benzoic acid methyl ester Formula: C21H22O6S MolecularWeight: 402.46078

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-14(22)28-12-11-16-5-4-6-18(19(16)21(24)26-3)27-13-15-7-9-17(10-8-15)20(23)25-2/h4-10H,11-13H2,1-3H3