methyl 3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-25-17(22)15-12(4-9-27-15)18-16(21)11-2-3-13(14(10-11)20(23)24)19-5-7-26-8-6-19/h2-4,9-10H,5-8H2,1H3,(H,18,21)