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

Systemtic Name: ethyl 5-methyl-2-[(3-methylphenyl)carbonylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(3-methylbenzoyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(3-methylbenzoyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(m-toluoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-4-29-22(26)19-18(15-8-10-17(11-9-15)24(27)28)14(3)30-21(19)23-20(25)16-7-5-6-13(2)12-16/h5-12H,4H2,1-3H3,(H,23,25)