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

Systemtic Name: ethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C21H26ClNO4S/c1-5-16-14(4)28-20(19(16)21(25)26-6-2)23-18(24)8-7-11-27-17-10-9-15(22)12-13(17)3/h9-10,12H,5-8,11H2,1-4H3,(H,23,24)