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

Systemtic Name: ethyl 5-(butylcarbamoyl)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(butylcarbamoyl)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[butylamino(oxo)methyl]-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butylcarbamoyl)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(butylcarbamoyl)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-4-6-9-22-18(26)16-11(3)15(20(27)30-5-2)19(31-16)23-17(25)12-7-8-13(21)14(10-12)24(28)29/h7-8,10H,4-6,9H2,1-3H3,(H,22,26)(H,23,25)