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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)Br

InChI

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