methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC)OC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrNO4S/c1-13(27-16-10-6-9-15(22)11-16)19(24)23-20-17(21(25)26-2)12-18(28-20)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,23,24)