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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S2/c1-26-15-6-4-5-14(10-15)22-11-13(9-19(22)23)20(24)25-12-18-21-16-7-2-3-8-17(16)27-18/h2-8,10,13H,9,11-12H2,1H3/t13-/m0/s1