tert-butyl 4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carboxylate CAS Name: 4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carboxylate Traditional Name: 4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N3O4S/c1-16(2,3)23-15(20)19-10-8-18(9-11-19)14-12-6-4-5-7-13(12)24(21,22)17-14/h4-7H,8-11H2,1-3H3