(10aR)-2-(3-ethanoylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one

Systemtic Name: (10aR)-2-(3-ethanoylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Openeye Name: (10aR)-2-(3-acetylphenyl)-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one CAS Name: (10aR)-2-(3-acetylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one IUPAC Name: (10aR)-2-(3-acetylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Traditional Name: (10aR)-2-(3-acetylphenyl)-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-1-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)C3CC4=CC(=C(C=C4CN3C2=S)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3CC4=CC(=C(C=C4CN3C2=S)OC)OC

InChI

InChI=1S/C21H20N2O4S/c1-12(24)13-5-4-6-16(7-13)23-20(25)17-8-14-9-18(26-2)19(27-3)10-15(14)11-22(17)21(23)28/h4-7,9-10,17H,8,11H2,1-3H3/t17-/m1/s1