1,3-benzothiazol-2-ylmethyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H20N2O5S/c1-26-14-7-8-16(17(10-14)27-2)23-11-13(9-20(23)24)21(25)28-12-19-22-15-5-3-4-6-18(15)29-19/h3-8,10,13H,9,11-12H2,1-2H3/t13-/m0/s1