methyl 4-(4-bromophenyl)-2-[3-(3-chlorophenyl)propanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[3-(3-chlorophenyl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[3-(3-chlorophenyl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[3-(3-chlorophenyl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[3-(3-chlorophenyl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19BrClNO3S MolecularWeight: 492.81316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC2=CC(=CC=C2)Cl)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC2=CC(=CC=C2)Cl)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrClNO3S/c1-13-19(15-7-9-16(23)10-8-15)20(22(27)28-2)21(29-13)25-18(26)11-6-14-4-3-5-17(24)12-14/h3-5,7-10,12H,6,11H2,1-2H3,(H,25,26)