methyl 4-(4-bromophenyl)-2-(4-chloranylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(4-chloranylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(4-chlorobutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(4-chloro-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(4-chlorobutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(4-chlorobutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H15BrClNO3S MolecularWeight: 416.7172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCCl

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCCl

InChI

InChI=1S/C16H15BrClNO3S/c1-22-16(21)14-12(10-4-6-11(17)7-5-10)9-23-15(14)19-13(20)3-2-8-18/h4-7,9H,2-3,8H2,1H3,(H,19,20)