ethyl 4-methyl-2-[(4-methylphenyl)carbonylamino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-methylphenyl)carbonylamino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H21N3O6S/c1-4-32-23(29)18-14(3)19(21(28)24-16-6-5-7-17(12-16)26(30)31)33-22(18)25-20(27)15-10-8-13(2)9-11-15/h5-12H,4H2,1-3H3,(H,24,28)(H,25,27)