methyl 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-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=CC(=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)Br

InChI

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