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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O4S/c1-25-16-8-4-3-7-15(16)22-11-13(10-19(22)23)20(24)26-12-18-21-14-6-2-5-9-17(14)27-18/h2-9,13H,10-12H2,1H3/t13-/m0/s1