3-ethanoyl-2-methyl-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one

Systemtic Name: 3-ethanoyl-2-methyl-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one Openeye Name: 3-acetyl-4-(2-benzylsulfanylphenyl)-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one CAS Name: 3-acetyl-2-methyl-4-[2-(phenylmethylthio)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one IUPAC Name: 3-acetyl-4-(2-benzylsulfanylphenyl)-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one Traditional Name: 3-acetyl-4-[2-(benzylthio)phenyl]-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridin-5-one Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C23H21NO3S/c1-14-20(15(2)25)21(22-18(24-14)12-27-23(22)26)17-10-6-7-11-19(17)28-13-16-8-4-3-5-9-16/h3-11,21,24H,12-13H2,1-2H3