ethyl 2-[(4-bromophenyl)carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromobenzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromobenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO3S/c1-3-26-21(25)18-17(14-7-5-4-6-8-14)13(2)27-20(18)23-19(24)15-9-11-16(22)12-10-15/h4-12H,3H2,1-2H3,(H,23,24)