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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-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:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

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