[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])NC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H27N3O7S/c1-11-13(3)33-19(24-21(28)22(4,5)6)17(11)20(27)32-12(2)18(26)23-15-9-8-14(31-7)10-16(15)25(29)30/h8-10,12H,1-7H3,(H,23,26)(H,24,28)