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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(2-thienylmethyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[4-(2-thenyl)piperazino]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)N2CCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C21H29N3O3S/c1-5-27-21(26)18-14(2)19(22-15(18)3)20(25)16(4)24-10-8-23(9-11-24)13-17-7-6-12-28-17/h6-7,12,16,22H,5,8-11,13H2,1-4H3/t16-/m0/s1