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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)CC3=CC=CS3

InChI

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