ethyl 5-ethanoyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(4-ethoxyphenyl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-(3-p-phenetylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C21H25NO5S/c1-5-26-16-10-7-15(8-11-16)9-12-17(24)22-20-18(21(25)27-6-2)13(3)19(28-20)14(4)23/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,22,24)