ethyl 2-ethyl-4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4)C(=O)OCC

InChI

InChI=1S/C23H22N4O4S/c1-3-14-20(23(30)31-4-2)21(26-16-8-6-5-7-15(16)24-14)27-22(29)13-9-10-18-17(11-13)25-19(28)12-32-18/h5-11,24H,3-4,12H2,1-2H3,(H,25,28)(H,26,27,29)