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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(3-chloranylphenoxy)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[2-(3-chlorophenoxy)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H17BrClNO4S MolecularWeight: 494.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H17BrClNO4S/c1-12(28-16-5-3-4-15(23)10-16)19(25)24-20-18(21(26)27-2)17(11-29-20)13-6-8-14(22)9-7-13/h3-12H,1-2H3,(H,24,25)