ethyl 2-[2-(4-bromanyl-3-nitro-phenyl)carbonyloxyethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-3-nitro-phenyl)carbonyloxyethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-3-nitro-benzoyl)oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromo-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-3-nitrobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-nitro-benzoyl)oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17BrN2O7S MolecularWeight: 485.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H17BrN2O7S/c1-3-11-8-12(18(24)27-4-2)16(29-11)20-15(22)9-28-17(23)10-5-6-13(19)14(7-10)21(25)26/h5-8H,3-4,9H2,1-2H3,(H,20,22)