ethyl 5-azanyl-4-cyano-3-[[3-methyl-2-(2-phenylethanoylamino)butanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-methyl-2-(2-phenylethanoylamino)butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-4-29-22(28)19-16(15(11-23)20(24)31-19)12-30-21(27)18(13(2)3)25-17(26)10-14-8-6-5-7-9-14/h5-9,13,18H,4,10,12,24H2,1-3H3,(H,25,26)