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

Systemtic Name: methyl 2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6S/c1-29-19(26)13-2-4-14-17(11-13)31-20(21-14)22-18(25)12-3-5-15(16(10-12)24(27)28)23-6-8-30-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22,25)