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

Systemtic Name: ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c1-5-27-21(26)18-13(3)19(14(4)24)29-20(18)23-17(25)7-6-10-28-16-9-8-15(22)11-12(16)2/h8-9,11H,5-7,10H2,1-4H3,(H,23,25)