1,3-benzothiazol-2-ylmethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

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