ethyl 4-(4-bromophenyl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(m-toluoylamino)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=C(C=C2)Br)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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