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

Systemtic Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(3-methylbutanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-5-26-19(23)17-16(13-6-8-14(9-7-13)21(24)25)12(4)27-18(17)20-15(22)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,20,22)