tert-butyl 4-[2-(4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-5-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-5-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-oxo-6,7-dihydro-5H-benzothiophen-5-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-keto-6,7-dihydro-5H-benzothiophen-5-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2CCC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2CCC3=C(C2=O)C=CS3

InChI

InChI=1S/C19H26N2O4S/c1-19(2,3)25-18(24)21-9-7-20(8-10-21)16(22)12-13-4-5-15-14(17(13)23)6-11-26-15/h6,11,13H,4-5,7-10,12H2,1-3H3