ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H25N3O4S/c1-4-27-20(26)16-12-14(2)23(15(16)3)13-18(24)21-7-9-22(10-8-21)19(25)17-6-5-11-28-17/h5-6,11-12H,4,7-10,13H2,1-3H3