O4-ethyl O2-propan-2-yl 5-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[4-(2-bromo-4-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C23H28BrNO6S MolecularWeight: 526.44052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO6S/c1-6-29-22(27)19-15(5)20(23(28)31-13(2)3)32-21(19)25-18(26)8-7-11-30-17-10-9-14(4)12-16(17)24/h9-10,12-13H,6-8,11H2,1-5H3,(H,25,26)