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

Systemtic Name: ethyl 2-[(10aR)-1-oxidanylidene-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[(10aR)-1-oxo-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]acetate CAS Name: 2-[(10aR)-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(10aR)-1-oxo-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]acetate Traditional Name: 2-[(10aR)-1-keto-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl]acetic acid ethyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2CC3=CC=CC=C3CN2C1=S

Isomeric SMILES

CCOC(=O)CN1C(=O)[C@H]2CC3=CC=CC=C3CN2C1=S

InChI

InChI=1S/C15H16N2O3S/c1-2-20-13(18)9-17-14(19)12-7-10-5-3-4-6-11(10)8-16(12)15(17)21/h3-6,12H,2,7-9H2,1H3/t12-/m1/s1