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

Systemtic Name: methyl 3-[3-(3-methyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxy-3-methyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-(3-methyl-2-phenylmethoxyphenyl)propyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(3-methyl-2-phenylmethoxyphenyl)propyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-3-methyl-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/c1-16-7-6-10-18(13-19(22)15-26-12-11-20(23)24-2)21(16)25-14-17-8-4-3-5-9-17/h3-10,19,22H,11-15H2,1-2H3