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

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methyl-2-nitro-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methyl-2-nitro-benzoyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[(3-methyl-2-nitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-methoxyphenyl)-3-[(3-methyl-2-nitro-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-4-30-22(26)20-17(12-18(31-20)14-8-10-15(29-3)11-9-14)23-21(25)16-7-5-6-13(2)19(16)24(27)28/h5-12H,4H2,1-3H3,(H,23,25)