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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(2,3-dimethylphenyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H26N4O2S/c1-4-27-21(26)19-17(16(12-22)20(23)28-19)13-24-8-10-25(11-9-24)18-7-5-6-14(2)15(18)3/h5-7H,4,8-11,13,23H2,1-3H3