ethyl 2-[2-(4-methyl-3,5-dinitro-phenyl)carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methyl-3,5-dinitro-phenyl)carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methyl-3,5-dinitro-benzoyl)oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-3,5-dinitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methyl-3,5-dinitrobenzoyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-methyl-3,5-dinitro-benzoyl)oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H19N3O9S MolecularWeight: 513.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O9S/c1-3-34-23(29)20-16(14-7-5-4-6-8-14)12-36-21(20)24-19(27)11-35-22(28)15-9-17(25(30)31)13(2)18(10-15)26(32)33/h4-10,12H,3,11H2,1-2H3,(H,24,27)