ethyl 4,5-dimethyl-2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-morpholino-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-4-29-20(25)17-12(2)13(3)30-19(17)21-18(24)14-5-6-15(16(11-14)23(26)27)22-7-9-28-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,21,24)