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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H22BrNO3S/c1-23(2,3)16-9-5-15(6-10-16)20(26)25-21-19(22(27)28-4)18(13-29-21)14-7-11-17(24)12-8-14/h5-13H,1-4H3,(H,25,26)