methyl 4-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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