ethyl 2-(3,3-dimethylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3,3-dimethylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3,3-dimethylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,3-dimethylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H24N2O5S/c1-6-27-19(24)17-16(13-7-9-14(10-8-13)22(25)26)12(2)28-18(17)21-15(23)11-20(3,4)5/h7-10H,6,11H2,1-5H3,(H,21,23)