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

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO4S/c1-3-14-4-6-15(7-5-14)18-13-29-21(20(18)22(26)27-2)24-19(25)12-28-17-10-8-16(23)9-11-17/h4-11,13H,3,12H2,1-2H3,(H,24,25)