propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC(C)C)C

InChI

InChI=1S/C22H27N3O6S/c1-7-24(8-2)21(27)18-14(6)17(22(28)31-12(3)4)20(32-18)23-19(26)15-9-10-16(25(29)30)13(5)11-15/h9-12H,7-8H2,1-6H3,(H,23,26)