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

Systemtic Name: (10aR)-7,8-dimethoxy-2-(2-methoxy-5-methyl-phenyl)-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Openeye Name: (10aR)-7,8-dimethoxy-2-(2-methoxy-5-methyl-phenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one CAS Name: (10aR)-7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one IUPAC Name: (10aR)-7,8-dimethoxy-2-(2-methoxy-5-methylphenyl)-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Traditional Name: (10aR)-7,8-dimethoxy-2-(2-methoxy-5-methyl-phenyl)-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-1-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3CC4=CC(=C(C=C4CN3C2=S)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)[C@H]3CC4=CC(=C(C=C4CN3C2=S)OC)OC

InChI

InChI=1S/C21H22N2O4S/c1-12-5-6-17(25-2)15(7-12)23-20(24)16-8-13-9-18(26-3)19(27-4)10-14(13)11-22(16)21(23)28/h5-7,9-10,16H,8,11H2,1-4H3/t16-/m1/s1