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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(2-ethoxyphenyl)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(2-ethoxyphenyl)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(3-o-phenetylpropanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H22N2O5S/c1-3-25-16-8-6-5-7-13(16)9-10-17(23)27-12-15-14(11-21)19(22)28-18(15)20(24)26-4-2/h5-8H,3-4,9-10,12,22H2,1-2H3