methyl 4-(4-bromophenyl)-2-[2-(2,3,6-trimethylphenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(2,3,6-trimethylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-2-(2,3,6-trimethylphenoxy)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C23H22BrNO4S/c1-13-5-6-14(2)21(15(13)3)29-11-19(26)25-22-20(23(27)28-4)18(12-30-22)16-7-9-17(24)10-8-16/h5-10,12H,11H2,1-4H3,(H,25,26)