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

Systemtic Name: ethyl 5-azanyl-3-[[4-(4-chlorophenyl)carbonylpiperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(4-chlorobenzoyl)piperazino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-2-28-20(27)17-16(15(11-22)18(23)29-17)12-24-7-9-25(10-8-24)19(26)13-3-5-14(21)6-4-13/h3-6H,2,7-10,12,23H2,1H3