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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[4-(2-methylphenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCOC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCOC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO5S/c1-5-26-21(25)18-14(3)19(15(4)23)28-20(18)22-17(24)11-8-12-27-16-10-7-6-9-13(16)2/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,22,24)