O2-tert-butyl O4-ethyl 5-[2-(4-chloranylphenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[2-(4-chloranylphenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO6S/c1-6-27-19(25)16-12(2)17(20(26)29-21(3,4)5)30-18(16)23-15(24)11-28-14-9-7-13(22)8-10-14/h7-10H,6,11H2,1-5H3,(H,23,24)