ethyl 5-azanyl-4-cyano-3-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2,2-dimethylcoumaran-7-yl)oxyacetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C21H22N2O6S/c1-4-26-20(25)18-14(13(9-22)19(23)30-18)10-28-16(24)11-27-15-7-5-6-12-8-21(2,3)29-17(12)15/h5-7H,4,8,10-11,23H2,1-3H3