ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(2-thienyl)-1H-pyrrole-3-carboxylate CAS Name: 2-[4-(2,6-dimethylphenyl)-1-piperazinyl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-thiophen-2-yl-1H-pyrrole-3-carboxylate Traditional Name: 2-[4-(2,6-dimethylphenyl)piperazino]-5-(2-thienyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=CS2)N3CCN(CC3)C4=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=CS2)N3CCN(CC3)C4=C(C=CC=C4C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-28-23(27)18-15-19(20-9-6-14-29-20)24-22(18)26-12-10-25(11-13-26)21-16(2)7-5-8-17(21)3/h5-9,14-15,24H,4,10-13H2,1-3H3