methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br)C

InChI

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