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

Systemtic Name: ethyl 2-(3-methylbutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-methylbutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-4-25-18(22)16-14(12-6-5-7-13(9-12)20(23)24)10-26-17(16)19-15(21)8-11(2)3/h5-7,9-11H,4,8H2,1-3H3,(H,19,21)