[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] (2R)-5-oxopyrrolidine-2-carboxylate CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-5-ketopyrrolidine-2-carboxylic acid [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2CCC(=O)N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)[C@H]2CCC(=O)N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O4S/c23-16-8-7-14(20-16)19(25)26-11-17(24)22-9-3-4-12(10-22)18-21-13-5-1-2-6-15(13)27-18/h1-2,5-6,12,14H,3-4,7-11H2,(H,20,23)/t12-,14+/m0/s1