ethyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO5S/c1-6-28-22(27)18-14(4)20(15(5)25)30-21(18)24-17(26)8-7-9-29-16-10-12(2)19(23)13(3)11-16/h10-11H,6-9H2,1-5H3,(H,24,26)