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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(6-oxidanyl-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(6-hydroxybenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(6-hydroxy-3-benzofuranyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(6-hydroxybenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=C2C=CC(=C3)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=C2C=CC(=C3)O

InChI

InChI=1S/C19H16N2O6S/c1-2-25-19(24)17-14(13(7-20)18(21)28-17)9-27-16(23)5-10-8-26-15-6-11(22)3-4-12(10)15/h3-4,6,8,22H,2,5,9,21H2,1H3