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

Systemtic Name: ethyl 2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-nitro-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-nitro-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H17ClN2O5S/c1-4-11-9(3)26-16(14(11)17(22)25-5-2)19-15(21)12-7-6-10(18)8-13(12)20(23)24/h6-8H,4-5H2,1-3H3,(H,19,21)