ethyl 5-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-propan-2-yl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S/c1-4-28-21(27)16-13-17(15(2)3)29-20(16)23-19(26)14-24-9-11-25(12-10-24)18-7-5-6-8-22-18/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,23,26)