ethyl 5-azanyl-4-cyano-3-[2-(4-ethoxyphenyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-ethoxyphenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-ethoxyphenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(4-ethoxyphenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-ethoxyphenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-p-phenetylacetyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C19H20N2O5S/c1-3-24-13-7-5-12(6-8-13)9-16(22)26-11-15-14(10-20)18(21)27-17(15)19(23)25-4-2/h5-8H,3-4,9,11,21H2,1-2H3