ethyl 8-bromanyl-6-thiophen-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-bromanyl-6-thiophen-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-bromo-6-(2-thienyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-bromo-6-thiophen-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-6-thiophen-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-bromo-6-(2-thienyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)Br)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)Br)C4=CC=CS4

InChI

InChI=1S/C18H14BrN3O2S/c1-2-24-18(23)17-14-9-20-16(15-4-3-7-25-15)12-8-11(19)5-6-13(12)22(14)10-21-17/h3-8,10H,2,9H2,1H3