diethyl 5-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H27BrClNO6S MolecularWeight: 560.88558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C23H27BrClNO6S/c1-6-30-22(28)17-13(4)20(23(29)31-7-2)33-21(17)26-16(27)9-8-10-32-15-11-12(3)19(25)14(5)18(15)24/h11H,6-10H2,1-5H3,(H,26,27)