ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(2-thienyl)-1H-pyrrole-3-carboxylate CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-(2-thienyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=CS2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=CS2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-27-21(26)17-14-18(19-7-4-12-28-19)23-20(17)25-10-8-24(9-11-25)16-6-3-5-15(22)13-16/h3-7,12-14,23H,2,8-11H2,1H3