methyl 4-[(10aS)-7,8-dimethoxy-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate

Systemtic Name: methyl 4-[(10aS)-7,8-dimethoxy-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate Openeye Name: methyl 4-[(10aS)-7,8-dimethoxy-1-oxo-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate CAS Name: 4-[(10aS)-7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(10aS)-7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate Traditional Name: 4-[(10aS)-1-keto-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-26-17-9-13-8-16-19(24)23(15-6-4-12(5-7-15)20(25)28-3)21(29)22(16)11-14(13)10-18(17)27-2/h4-7,9-10,16H,8,11H2,1-3H3/t16-/m0/s1