methyl 3-[2-[3-(hydroxymethyl)phenyl]-1-(3-methoxyphenyl)ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[3-(hydroxymethyl)phenyl]-1-(3-methoxyphenyl)ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[3-(hydroxymethyl)phenyl]-1-(3-methoxyphenyl)ethyl]sulfanylpropanoate CAS Name: 3-[[2-[3-(hydroxymethyl)phenyl]-1-(3-methoxyphenyl)ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(hydroxymethyl)phenyl]-1-(3-methoxyphenyl)ethyl]sulfanylpropanoate Traditional Name: 3-[[1-(3-methoxyphenyl)-2-(3-methylolphenyl)ethyl]thio]propionic acid methyl ester Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4S/c1-23-18-8-4-7-17(13-18)19(25-10-9-20(22)24-2)12-15-5-3-6-16(11-15)14-21/h3-8,11,13,19,21H,9-10,12,14H2,1-2H3