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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H25N3O6S/c1-6-23(7-2)20(26)17-13(5)16(21(27)30-8-3)19(31-17)22-18(25)14-10-9-12(4)15(11-14)24(28)29/h9-11H,6-8H2,1-5H3,(H,22,25)