ethyl 4-aminocarbonyl-5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[(5-chloro-2-nitro-benzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[(5-chloro-2-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-[(5-chloro-2-nitro-benzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C16H14ClN3O6S/c1-3-26-16(23)12-7(2)11(13(18)21)15(27-12)19-14(22)9-6-8(17)4-5-10(9)20(24)25/h4-6H,3H2,1-2H3,(H2,18,21)(H,19,22)