tert-butyl 4-[5-(1,2-dithiolan-3-yl)pentanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(1,2-dithiolan-3-yl)pentanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(dithiolan-3-yl)pentanoyl]piperazine-1-carboxylate CAS Name: 4-[5-(3-dithiolanyl)-1-oxopentyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(dithiolan-3-yl)pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[5-(dithiolan-3-yl)pentanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H30N2O3S2 MolecularWeight: 374.5617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCCC2CCSS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCCC2CCSS2

InChI

InChI=1S/C17H30N2O3S2/c1-17(2,3)22-16(21)19-11-9-18(10-12-19)15(20)7-5-4-6-14-8-13-23-24-14/h14H,4-13H2,1-3H3