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

Systemtic Name: ethyl 2-[(2-acetyloxy-5-nitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-acetyloxy-5-nitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-5-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C22H18N2O7S/c1-3-30-22(27)19-17(14-7-5-4-6-8-14)12-32-21(19)23-20(26)16-11-15(24(28)29)9-10-18(16)31-13(2)25/h4-12H,3H2,1-2H3,(H,23,26)