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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-oxidanylidenepiperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-oxopiperazin-1-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(3-oxo-1-piperazinyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-oxopiperazin-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3-ketopiperazino)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCNC(=O)C2

InChI

InChI=1S/C13H16N4O3S/c1-2-20-13(19)11-9(8(5-14)12(15)21-11)6-17-4-3-16-10(18)7-17/h2-4,6-7,15H2,1H3,(H,16,18)