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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2-pyridyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H21N5O2S/c1-2-25-18(24)16-14(13(11-19)17(20)26-16)12-22-7-9-23(10-8-22)15-5-3-4-6-21-15/h3-6H,2,7-10,12,20H2,1H3