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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-phenylethanoylamino)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(2-phenylacetyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(2-phenylacetyl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(2-phenylacetyl)amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H19N3O5S/c1-2-26-19(25)17-14(13(9-20)18(21)28-17)11-27-16(24)10-22-15(23)8-12-6-4-3-5-7-12/h3-7H,2,8,10-11,21H2,1H3,(H,22,23)