ethyl 5-(diethylcarbamoyl)-4-methyl-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]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)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H25N3O6S/c1-5-23(6-2)20(26)18-13(4)17(21(27)30-7-3)19(31-18)22-16(25)12-14-8-10-15(11-9-14)24(28)29/h8-11H,5-7,12H2,1-4H3,(H,22,25)