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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[4-(4-acetylphenyl)piperazino]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-28-21(27)19-18(17(12-22)20(23)29-19)13-24-8-10-25(11-9-24)16-6-4-15(5-7-16)14(2)26/h4-7H,3,8-11,13,23H2,1-2H3