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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O6S/c1-11-12(2)29-18(16(11)19(24)27-3)20-17(23)13-4-5-14(15(10-13)22(25)26)21-6-8-28-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,20,23)