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

Systemtic Name: methyl 3-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfinylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfinylpropanoate CAS Name: 3-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfinylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfinylpropanoate Traditional Name: 3-[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfinylpropionic acid methyl ester Formula: C25H32O5S MolecularWeight: 444.58358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)CC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

Isomeric SMILES

COC(=O)CCS(=O)CC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

InChI

InChI=1S/C25H32O5S/c1-29-24(27)14-15-31(28)18-22(26)16-21-12-7-13-23(20-10-5-6-11-20)25(21)30-17-19-8-3-2-4-9-19/h2-4,7-9,12-13,20,22,26H,5-6,10-11,14-18H2,1H3