[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H28N4O4S/c1-15-13-17(24-21(29)22(2,3)4)31-19(15)20(28)30-14-18(27)26-11-9-25(10-12-26)16-7-5-6-8-23-16/h5-8,13H,9-12,14H2,1-4H3,(H,24,29)