(phenylmethyl) 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(2-keto-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H19N3O4S/c24-18(13-21-16-9-4-5-10-17(16)28-20(21)26)22-11-6-12-23(22)19(25)27-14-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2