ethyl 2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-morpholino-5-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-morpholino-5-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6S/c1-2-31-20(27)13-3-5-16-18(11-13)32-21(22-16)23-19(26)15-12-14(25(28)29)4-6-17(15)24-7-9-30-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,22,23,26)