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

Systemtic Name: ethyl 2-[(2-acetyloxy-5-nitro-phenyl)carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(2-acetyloxy-5-nitrophenyl)-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-5-nitrobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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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-])OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-5-28-20(25)17-13(8-11(2)3)10-30-19(17)21-18(24)15-9-14(22(26)27)6-7-16(15)29-12(4)23/h6-7,9-11H,5,8H2,1-4H3,(H,21,24)