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

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-methyl-2-(p-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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