1,3-benzothiazol-2-ylmethyl (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N2O3S/c1-13-6-5-8-17(14(13)2)23-11-15(10-20(23)24)21(25)26-12-19-22-16-7-3-4-9-18(16)27-19/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1