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

Systemtic Name: methyl 2-[2-(3-bromanylphenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-bromophenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromophenoxy)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=CC(=CC=C2)Br)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO4S/c1-13-18(14-7-4-3-5-8-14)19(21(25)26-2)20(28-13)23-17(24)12-27-16-10-6-9-15(22)11-16/h3-11H,12H2,1-2H3,(H,23,24)