ethyl 5-azanyl-4-cyano-3-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(5,6-dimethyl-3-benzofuranyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

InChI

InChI=1S/C21H20N2O5S/c1-4-26-21(25)19-16(15(8-22)20(23)29-19)10-28-18(24)7-13-9-27-17-6-12(3)11(2)5-14(13)17/h5-6,9H,4,7,10,23H2,1-3H3