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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC

InChI

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