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

Systemtic Name: methyl 3-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O4S/c1-28-24(27)14-15-30-18-22(26)16-21-12-7-13-23(20-10-5-6-11-20)25(21)29-17-19-8-3-2-4-9-19/h2-4,7-9,12-13,20,22,26H,5-6,10-11,14-18H2,1H3