2-oxidanylidenepropyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: 2-oxidanylidenepropyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: acetonyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid acetonyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(=O)COC(=O)[C@H]1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H18N2O5S/c1-11(19)10-23-16(20)12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)24(21,22)17-15/h2-3,6-7,12H,4-5,8-10H2,1H3/t12-/m0/s1