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

Systemtic Name: 3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(2-methoxy-2-oxo-ethyl)sulfanyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-[(2-methoxy-2-oxoethyl)thio]propyl]thio]propanoic acid IUPAC Name: 3-[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(2-methoxy-2-oxoethyl)sulfanylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-[(2-keto-2-methoxy-ethyl)thio]propyl]thio]propionic acid Formula: C27H34O6S2 MolecularWeight: 518.68526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O6S2/c1-32-25(31)18-34-17-23(28)27(35-15-14-24(29)30)22-13-7-12-21(20-10-5-6-11-20)26(22)33-16-19-8-3-2-4-9-19/h2-4,7-9,12-13,20,23,27-28H,5-6,10-11,14-18H2,1H3,(H,29,30)