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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[4-(4-chloranylphenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[4-(4-chlorophenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(4-chlorophenoxy)-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-(4-chlorophenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-chlorophenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO6S/c1-5-28-21(26)18-14(4)19(22(27)30-13(2)3)31-20(18)24-17(25)7-6-12-29-16-10-8-15(23)9-11-16/h8-11,13H,5-7,12H2,1-4H3,(H,24,25)