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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(4-methyl-3,5-dinitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methyl-3,5-dinitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(4-methyl-3,5-dinitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-methyl-3,5-dinitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(4-methyl-3,5-dinitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H18ClN3O9S MolecularWeight: 547.92172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H18ClN3O9S/c1-3-35-23(30)20-16(13-4-6-15(24)7-5-13)11-37-21(20)25-19(28)10-36-22(29)14-8-17(26(31)32)12(2)18(9-14)27(33)34/h4-9,11H,3,10H2,1-2H3,(H,25,28)