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

Systemtic Name: propan-2-yl 3-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: isopropyl 3-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]thio]propionic acid isopropyl ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCSCC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

Isomeric SMILES

CC(C)OC(=O)CCSCC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

InChI

InChI=1S/C27H36O4S/c1-20(2)31-26(29)15-16-32-19-24(28)17-23-13-8-14-25(22-11-6-7-12-22)27(23)30-18-21-9-4-3-5-10-21/h3-5,8-10,13-14,20,22,24,28H,6-7,11-12,15-19H2,1-2H3