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

Systemtic Name: ethyl 5-(3-chloranylthiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(3-chloro-2-thienyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrrole-3-carboxylate CAS Name: 5-(3-chloro-2-thiophenyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chlorothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-chloro-2-thienyl)-2-[4-(4-methoxyphenyl)piperazino]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-3-29-22(27)17-14-19(20-18(23)8-13-30-20)24-21(17)26-11-9-25(10-12-26)15-4-6-16(28-2)7-5-15/h4-8,13-14,24H,3,9-12H2,1-2H3