ethyl 4-(2-methylpropyl)-2-[2-(2-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(2-nitrophenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-4-26-19(23)17-13(9-12(2)3)11-28-18(17)20-16(22)10-27-15-8-6-5-7-14(15)21(24)25/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)