1,3-benzothiazol-2-ylmethyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CC=C2Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17ClN2O3S/c21-15-6-2-1-5-13(15)10-23-11-14(9-19(23)24)20(25)26-12-18-22-16-7-3-4-8-17(16)27-18/h1-8,14H,9-12H2/t14-/m0/s1