[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-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 [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-11-13(3)31-18(23-20(27)21(4,5)6)17(11)19(26)30-10-16(25)22-14-8-7-9-15(12(14)2)24(28)29/h7-9H,10H2,1-6H3,(H,22,25)(H,23,27)