[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H18N2O3S/c23-19(22-10-4-5-11-22)18(14-6-2-1-3-7-14)25-20(24)15-8-9-16-17(12-15)26-13-21-16/h1-3,6-9,12-13,18H,4-5,10-11H2/t18-/m1/s1