propyl 2-[2-(4-bromophenyl)ethanoylamino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[2-(4-bromophenyl)ethanoylamino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-bromophenyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-(4-tert-butylphenyl)-5-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-bromophenyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylic acid propyl ester Formula: C27H30BrNO3S MolecularWeight: 528.501

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H30BrNO3S/c1-6-15-32-26(31)24-23(19-9-11-20(12-10-19)27(3,4)5)17(2)33-25(24)29-22(30)16-18-7-13-21(28)14-8-18/h7-14H,6,15-16H2,1-5H3,(H,29,30)