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

Systemtic Name: ethyl 5-azanyl-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O2S/c1-3-27-20(26)18-16(15(11-22)19(23)28-18)12-24-6-8-25(9-7-24)17-10-14(21)5-4-13(17)2/h4-5,10H,3,6-9,12,23H2,1-2H3