ethyl 3,5-dimethyl-4-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[4-(3-thienylmethyl)piperazin-1-yl]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[4-(3-thenyl)piperazino]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C20H27N3O3S/c1-4-26-20(25)19-14(2)18(15(3)21-19)17(24)12-23-8-6-22(7-9-23)11-16-5-10-27-13-16/h5,10,13,21H,4,6-9,11-12H2,1-3H3