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

Systemtic Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chlorophenyl)carbamoyl]-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoyl]-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H17ClN4O8S MolecularWeight: 532.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4O8S/c1-3-35-22(30)17-11(2)18(20(29)24-14-6-4-5-13(23)9-14)36-21(17)25-19(28)12-7-15(26(31)32)10-16(8-12)27(33)34/h4-10H,3H2,1-2H3,(H,24,29)(H,25,28)