methyl 3-[2-(3-methanoylphenyl)-1-[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanyl-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(3-methanoylphenyl)-1-[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanyl-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-formylphenyl)-2-hydroxy-1-[3-(2-methoxy-2-oxo-ethoxy)phenyl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-formylphenyl)-2-hydroxy-1-[3-(2-methoxy-2-oxoethoxy)phenyl]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-formylphenyl)-2-hydroxy-1-[3-(2-methoxy-2-oxoethoxy)phenyl]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-formylphenyl)-2-hydroxy-1-[3-(2-keto-2-methoxy-ethoxy)phenyl]ethyl]thio]propionic acid methyl ester Formula: C22H24O7S MolecularWeight: 432.48676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC(=CC=C1)OCC(=O)OC)C(C2=CC=CC(=C2)C=O)O

Isomeric SMILES

COC(=O)CCSC(C1=CC(=CC=C1)OCC(=O)OC)C(C2=CC=CC(=C2)C=O)O

InChI

InChI=1S/C22H24O7S/c1-27-19(24)9-10-30-22(21(26)16-6-3-5-15(11-16)13-23)17-7-4-8-18(12-17)29-14-20(25)28-2/h3-8,11-13,21-22,26H,9-10,14H2,1-2H3