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

Systemtic Name: ethyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(4-chloroanilino)-oxomethyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O6S/c1-3-32-22(29)17-12(2)18(20(28)24-15-9-7-14(23)8-10-15)33-21(17)25-19(27)13-5-4-6-16(11-13)26(30)31/h4-11H,3H2,1-2H3,(H,24,28)(H,25,27)