methyl 3-[3-(3,5-dimethyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(3,5-dimethyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxy-3,5-dimethyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3,5-dimethyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-3,5-dimethyl-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(CSCCC(=O)OC)O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(CSCCC(=O)OC)O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H28O4S/c1-16-11-17(2)22(26-14-18-7-5-4-6-8-18)19(12-16)13-20(23)15-27-10-9-21(24)25-3/h4-8,11-12,20,23H,9-10,13-15H2,1-3H3