methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C(C)OC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C(C)OC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

InChI

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