(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate CAS Name: (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate Traditional Name: (2R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pipecolinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCCCN1C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CCCCN1C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N4O5S/c1-12(21)14(10-20)16(24)11-28-19(25)15-7-4-5-9-23(15)18-13-6-2-3-8-17(13)29(26,27)22-18/h2-3,6,8,14-15,21H,4-5,7,9,11H2,1H3/t14?,15-/m1/s1