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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[3-(2-oxo-1-pyrrolidinyl)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-(2-ketopyrrolidino)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)N3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C20H19N3O5S/c1-2-27-20(26)17-15(14(10-21)18(22)29-17)11-28-19(25)12-5-3-6-13(9-12)23-8-4-7-16(23)24/h3,5-6,9H,2,4,7-8,11,22H2,1H3