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

Systemtic Name: O2-tert-butyl O4-ethyl 5-[2-(3-chloranylphenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[2-(3-chlorophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-chlorophenoxy)-1-oxopropyl]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-(3-chlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(3-chlorophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C(C)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C(C)OC2=CC(=CC=C2)Cl

InChI

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