ethyl 6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 6-thioxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-thioxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CNC(=S)C3=CC=CC=C3N2C=N1

Isomeric SMILES

CCOC(=O)C1=C2CNC(=S)C3=CC=CC=C3N2C=N1

InChI

InChI=1S/C14H13N3O2S/c1-2-19-14(18)12-11-7-15-13(20)9-5-3-4-6-10(9)17(11)8-16-12/h3-6,8H,2,7H2,1H3,(H,15,20)