ethyl 4-(2-methylpropyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-26-18(23)15-11(7-10(2)3)9-27-17(15)19-16(22)13-8-12(20(24)25)5-6-14(13)21/h5-6,8-10,21H,4,7H2,1-3H3,(H,19,22)