methyl 3-[2-(3-hydroxyphenyl)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-ethyl]benzoate

Systemtic Name: methyl 3-[2-(3-hydroxyphenyl)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-ethyl]benzoate Openeye Name: methyl 3-[2-(3-hydroxyphenyl)-2-(3-methoxy-3-oxo-propyl)sulfanyl-ethyl]benzoate CAS Name: 3-[2-(3-hydroxyphenyl)-2-[(3-methoxy-3-oxopropyl)thio]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-hydroxyphenyl)-2-(3-methoxy-3-oxopropyl)sulfanylethyl]benzoate Traditional Name: 3-[2-(3-hydroxyphenyl)-2-[(3-keto-3-methoxy-propyl)thio]ethyl]benzoic acid methyl ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CC1=CC=CC(=C1)C(=O)OC)C2=CC(=CC=C2)O

Isomeric SMILES

COC(=O)CCSC(CC1=CC=CC(=C1)C(=O)OC)C2=CC(=CC=C2)O

InChI

InChI=1S/C20H22O5S/c1-24-19(22)9-10-26-18(15-6-4-8-17(21)13-15)12-14-5-3-7-16(11-14)20(23)25-2/h3-8,11,13,18,21H,9-10,12H2,1-2H3