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

Systemtic Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H16ClN3O6S MolecularWeight: 473.88624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H16ClN3O6S/c1-11-16(21(28)31-2)20(24-18(26)12-6-8-15(9-7-12)25(29)30)32-17(11)19(27)23-14-5-3-4-13(22)10-14/h3-10H,1-2H3,(H,23,27)(H,24,26)