methyl 4-(4-bromophenyl)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H21BrClNO4S MolecularWeight: 522.83914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H21BrClNO4S/c1-14-12-17(25)9-10-19(14)30-11-3-4-20(27)26-22-21(23(28)29-2)18(13-31-22)15-5-7-16(24)8-6-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,26,27)