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

Systemtic Name: methyl 2-[3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-(3-methoxyphenyl)propyl]benzoate Openeye Name: methyl 2-[3-(3-methoxy-3-oxo-propyl)sulfanyl-3-(3-methoxyphenyl)propyl]benzoate CAS Name: 2-[3-[(3-methoxy-3-oxopropyl)thio]-3-(3-methoxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-methoxy-3-oxopropyl)sulfanyl-3-(3-methoxyphenyl)propyl]benzoate Traditional Name: 2-[3-[(3-keto-3-methoxy-propyl)thio]-3-(3-methoxyphenyl)propyl]benzoic acid methyl ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCC2=CC=CC=C2C(=O)OC)SCCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(CCC2=CC=CC=C2C(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C22H26O5S/c1-25-18-9-6-8-17(15-18)20(28-14-13-21(23)26-2)12-11-16-7-4-5-10-19(16)22(24)27-3/h4-10,15,20H,11-14H2,1-3H3