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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(cyclopropanecarbonyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C17H22N4O3S/c1-2-24-17(23)14-13(12(9-18)15(19)25-14)10-20-5-7-21(8-6-20)16(22)11-3-4-11/h11H,2-8,10,19H2,1H3