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

Systemtic Name: butyl 2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O6S/c1-2-3-10-33-22(29)16-4-6-17-20(14-16)34-23(24-17)25-21(28)15-5-7-18(19(13-15)27(30)31)26-8-11-32-12-9-26/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,25,28)