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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(6-methoxy-1-benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(6-methoxybenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(6-methoxy-3-benzofuranyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(6-methoxybenzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S/c1-3-26-20(24)18-15(14(8-21)19(22)29-18)10-28-17(23)6-11-9-27-16-7-12(25-2)4-5-13(11)16/h4-5,7,9H,3,6,10,22H2,1-2H3