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

Systemtic Name: ethyl 3-(7,8-dimethoxy-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)benzoate Openeye Name: ethyl 3-(7,8-dimethoxy-1-oxo-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)benzoate CAS Name: 3-(7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(7,8-dimethoxy-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)benzoate Traditional Name: 3-(1-keto-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl)benzoic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-4-29-21(26)13-6-5-7-16(8-13)24-20(25)17-9-14-10-18(27-2)19(28-3)11-15(14)12-23(17)22(24)30/h5-8,10-11,17H,4,9,12H2,1-3H3