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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-9-12(17(23)26-4)15(27-13(9)16(22)19(2)3)18-14(21)10-6-5-7-11(8-10)20(24)25/h5-8H,1-4H3,(H,18,21)