ethyl 4-(4-bromophenyl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O5S/c1-3-29-21(26)18-16(13-7-9-14(22)10-8-13)11-30-20(18)23-19(25)15-5-4-6-17(12(15)2)24(27)28/h4-11H,3H2,1-2H3,(H,23,25)