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

Systemtic Name: ethyl 2-[(3-chloranyl-4-nitro-phenyl)carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-nitro-benzoyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-nitro-benzoyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-5-28-18(25)13-9(2)14(17(24)21(3)4)29-16(13)20-15(23)10-6-7-12(22(26)27)11(19)8-10/h6-8H,5H2,1-4H3,(H,20,23)