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

Systemtic Name: methyl 3-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-(3-methoxyphenyl)ethyl]benzoate Openeye Name: methyl 3-[2-(3-methoxy-3-oxo-propyl)sulfanyl-2-(3-methoxyphenyl)ethyl]benzoate CAS Name: 3-[2-[(3-methoxy-3-oxopropyl)thio]-2-(3-methoxyphenyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-methoxy-3-oxopropyl)sulfanyl-2-(3-methoxyphenyl)ethyl]benzoate Traditional Name: 3-[2-[(3-keto-3-methoxy-propyl)thio]-2-(3-methoxyphenyl)ethyl]benzoic acid methyl ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC2=CC=CC(=C2)C(=O)OC)SCCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(CC2=CC=CC(=C2)C(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C21H24O5S/c1-24-18-9-5-7-16(14-18)19(27-11-10-20(22)25-2)13-15-6-4-8-17(12-15)21(23)26-3/h4-9,12,14,19H,10-11,13H2,1-3H3