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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]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-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C22H26BrNO6S MolecularWeight: 512.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC)Br

InChI

InChI=1S/C22H26BrNO6S/c1-6-14-8-9-16(15(23)10-14)29-11-17(25)24-20-18(21(26)28-7-2)13(5)19(31-20)22(27)30-12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,24,25)