ethyl 4-(4-bromophenyl)-2-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(2-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrN2O6S MolecularWeight: 519.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H19BrN2O6S/c1-3-30-22(27)20-17(14-4-6-15(23)7-5-14)12-32-21(20)24-19(26)11-31-18-9-8-16(25(28)29)10-13(18)2/h4-10,12H,3,11H2,1-2H3,(H,24,26)