ethyl 5-azanyl-4-cyano-3-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-[(2-ketopyrrolidino)methyl]benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

InChI=1S/C21H21N3O5S/c1-2-28-21(27)18-16(15(10-22)19(23)30-18)12-29-20(26)14-6-3-5-13(9-14)11-24-8-4-7-17(24)25/h3,5-6,9H,2,4,7-8,11-12,23H2,1H3