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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-fluorophenyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H21FN4O2S MolecularWeight: 388.459043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O2S/c1-2-26-19(25)17-16(15(11-21)18(22)27-17)12-23-7-9-24(10-8-23)14-5-3-13(20)4-6-14/h3-6H,2,7-10,12,22H2,1H3