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

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-(3-thienylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(3-thenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-19(24)16-13(2)17(20-14(16)3)18(23)22-8-6-21(7-9-22)11-15-5-10-26-12-15/h5,10,12,20H,4,6-9,11H2,1-3H3