ethyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-5-16-13-17(21(24)25-6-2)20(27-16)22-19(23)8-7-11-26-18-10-9-14(3)12-15(18)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,22,23)