ethyl 4-ethyl-5-methyl-2-[2-(4-propanoylphenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(4-propanoylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(4-propionylphenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC2=CC=C(C=C2)C(=O)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC2=CC=C(C=C2)C(=O)CC)C

InChI

InChI=1S/C21H25NO5S/c1-5-16-13(4)28-20(19(16)21(25)26-7-3)22-18(24)12-27-15-10-8-14(9-11-15)17(23)6-2/h8-11H,5-7,12H2,1-4H3,(H,22,24)