ethyl 5-azanyl-4-cyano-3-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=CC4=C(CCC4)C=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=CC4=C(CCC4)C=C32

InChI

InChI=1S/C22H20N2O5S/c1-2-27-22(26)20-17(16(9-23)21(24)30-20)11-29-19(25)8-14-10-28-18-7-13-5-3-4-12(13)6-15(14)18/h6-7,10H,2-5,8,11,24H2,1H3