methyl 2-[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chroman-4-yl]sulfanylacetate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chroman-4-yl]thio]acetic acid methyl ester Formula: C21H24O7S MolecularWeight: 420.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(C(O2)C3=CC(=C(C=C3)OC)OC)O)SCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(C(O2)C3=CC(=C(C=C3)OC)OC)O)SCC(=O)OC

InChI

InChI=1S/C21H24O7S/c1-24-13-6-7-14-16(10-13)28-20(19(23)21(14)29-11-18(22)27-4)12-5-8-15(25-2)17(9-12)26-3/h5-10,19-21,23H,11H2,1-4H3