ethyl 2-[[4-(butylamino)-3-nitro-phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(butylamino)-3-nitro-phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(butylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(butylamino)-3-nitrophenyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(butylamino)-3-nitrobenzoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(butylamino)-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O5S/c1-3-5-13-25-19-12-11-17(14-20(19)27(30)31)22(28)26-23-21(24(29)32-4-2)18(15-33-23)16-9-7-6-8-10-16/h6-12,14-15,25H,3-5,13H2,1-2H3,(H,26,28)