propan-2-yl 2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-morpholino-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-morpholino-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-13(2)32-21(28)15-3-5-16-19(12-15)33-22(23-16)24-20(27)14-4-6-17(18(11-14)26(29)30)25-7-9-31-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)