ethyl 5-ethanoyl-4-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CC2=COC3=C2C=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CC2=COC3=C2C=CC(=C3)C

InChI

InChI=1S/C21H21NO5S/c1-5-26-21(25)18-12(3)19(13(4)23)28-20(18)22-17(24)9-14-10-27-16-8-11(2)6-7-15(14)16/h6-8,10H,5,9H2,1-4H3,(H,22,24)