ethyl 5-azanyl-3-(2-benzo[e][1]benzofuran-1-ylethanoyloxymethyl)-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(2-benzo[e][1]benzofuran-1-ylethanoyloxymethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-benzo[e]benzofuran-1-ylacetyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(1-benzo[e]benzofuranyl)-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(2-benzo[e]benzofuran-1-ylacetyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H18N2O5S/c1-2-28-23(27)21-17(16(10-24)22(25)31-21)12-30-19(26)9-14-11-29-18-8-7-13-5-3-4-6-15(13)20(14)18/h3-8,11H,2,9,12,25H2,1H3