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

Systemtic Name: ethyl 4-[(10aS)-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[(10aS)-1-oxo-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate CAS Name: 4-[(10aS)-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(10aS)-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate Traditional Name: 4-[(10aS)-1-keto-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl]benzoic acid ethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-2-25-19(24)13-7-9-16(10-8-13)22-18(23)17-11-14-5-3-4-6-15(14)12-21(17)20(22)26/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1