methyl 4-(4-bromophenyl)-5-methyl-2-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-[2-(2-methyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-5-methyl-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[[2-(2-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-methyl-2-[[2-(2-methyl-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H19BrN2O6S MolecularWeight: 519.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

InChI

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