methyl 3-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoate

Systemtic Name: methyl 3-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoate Openeye Name: methyl 3-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoate CAS Name: 3-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylthio]propyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propyl]benzoate Traditional Name: 3-[3-(1,3-dioxolan-2-yl)-3-(p-anisylthio)propyl]benzoic acid methyl ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=CC(=C2)C(=O)OC)C3OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CCC2=CC=CC(=C2)C(=O)OC)C3OCCO3

InChI

InChI=1S/C22H26O5S/c1-24-19-9-6-17(7-10-19)15-28-20(22-26-12-13-27-22)11-8-16-4-3-5-18(14-16)21(23)25-2/h3-7,9-10,14,20,22H,8,11-13,15H2,1-2H3