(2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-(phenylmethylsulfanyl)-4H-chromen-3-one

Systemtic Name: (2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-(phenylmethylsulfanyl)-4H-chromen-3-one Openeye Name: (2R,4R)-4-benzylsulfanyl-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-3-one CAS Name: (2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-(phenylmethylthio)-3,4-dihydro-2H-1-benzopyran-3-one IUPAC Name: (2R,4R)-4-benzylsulfanyl-2-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromen-3-one Traditional Name: (2R,4R)-4-(benzylthio)-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-3-one Formula: C25H24O5S MolecularWeight: 436.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)C(O2)C3=CC(=C(C=C3)OC)OC)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)[C@H](C(=O)[C@H](O2)C3=CC(=C(C=C3)OC)OC)SCC4=CC=CC=C4

InChI

InChI=1S/C25H24O5S/c1-27-18-10-11-19-21(14-18)30-24(17-9-12-20(28-2)22(13-17)29-3)23(26)25(19)31-15-16-7-5-4-6-8-16/h4-14,24-25H,15H2,1-3H3/t24-,25-/m1/s1