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

Systemtic Name: (10aR)-7,8-dimethoxy-2-phenethyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Openeye Name: (10aR)-7,8-dimethoxy-2-phenethyl-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one CAS Name: (10aR)-7,8-dimethoxy-2-phenethyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one IUPAC Name: (10aR)-7,8-dimethoxy-2-phenethyl-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Traditional Name: (10aR)-7,8-dimethoxy-2-phenethyl-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=S)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN3[C@H](CC2=C1)C(=O)N(C3=S)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-18-11-15-10-17-20(24)22(9-8-14-6-4-3-5-7-14)21(27)23(17)13-16(15)12-19(18)26-2/h3-7,11-12,17H,8-10,13H2,1-2H3/t17-/m1/s1