methyl 3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[1-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(2-methoxy-2-oxo-ethyl)sulfanyl-propyl]sulfanylpropanoate CAS Name: 3-[[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-[(2-methoxy-2-oxoethyl)thio]propyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(2-methoxy-2-oxoethyl)sulfanylpropyl]sulfanylpropanoate Traditional Name: 3-[[1-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-[(2-keto-2-methoxy-ethyl)thio]propyl]thio]propionic acid methyl ester Formula: C28H36O6S2 MolecularWeight: 532.71184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(CSCC(=O)OC)O

Isomeric SMILES

COC(=O)CCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(CSCC(=O)OC)O

InChI

InChI=1S/C28H36O6S2/c1-32-25(30)15-16-36-28(24(29)18-35-19-26(31)33-2)23-14-8-13-22(21-11-6-7-12-21)27(23)34-17-20-9-4-3-5-10-20/h3-5,8-10,13-14,21,24,28-29H,6-7,11-12,15-19H2,1-2H3