(10aR)-2-(4-ethoxyphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one

Systemtic Name: (10aR)-2-(4-ethoxyphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Openeye Name: (10aR)-2-(4-ethoxyphenyl)-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one CAS Name: (10aR)-2-(4-ethoxyphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one IUPAC Name: (10aR)-2-(4-ethoxyphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Traditional Name: (10aR)-7,8-dimethoxy-2-p-phenetyl-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:

CCOC1=CC=C(C=C1)N2C(=O)C3CC4=CC(=C(C=C4CN3C2=S)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3CC4=CC(=C(C=C4CN3C2=S)OC)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-27-16-7-5-15(6-8-16)23-20(24)17-9-13-10-18(25-2)19(26-3)11-14(13)12-22(17)21(23)28/h5-8,10-11,17H,4,9,12H2,1-3H3/t17-/m1/s1