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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)OCC

InChI

InChI=1S/C21H26ClNO4S/c1-5-16-12-17(21(25)26-6-2)20(28-16)23-18(24)8-7-9-27-15-10-13(3)19(22)14(4)11-15/h10-12H,5-9H2,1-4H3,(H,23,24)