ethyl 4-(1,3-benzothiazol-6-ylcarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzothiazol-6-ylcarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazole-6-carbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazole-6-carbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(1,3-benzothiazole-6-carbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)N=CS4)C(=O)OCC

InChI

InChI=1S/C22H20N4O3S/c1-3-14-19(22(28)29-4-2)20(25-16-8-6-5-7-15(16)24-14)26-21(27)13-9-10-17-18(11-13)30-12-23-17/h5-12,24H,3-4H2,1-2H3,(H,25,26,27)