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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-3-methylphenoxy)-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-(4-bromo-3-methylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)COC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C21H24BrNO6S/c1-6-27-20(25)17-13(5)18(21(26)29-11(2)3)30-19(17)23-16(24)10-28-14-7-8-15(22)12(4)9-14/h7-9,11H,6,10H2,1-5H3,(H,23,24)