[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S2/c24-18(14-27-21-22-16-10-4-5-11-17(16)28-21)26-19(15-8-2-1-3-9-15)20(25)23-12-6-7-13-23/h1-5,8-11,19H,6-7,12-14H2/t19-/m1/s1