(3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-12-2-4-13(5-3-12)10-24-11-14(8-18(24)25)19(26)23-20-22-16-7-6-15(21)9-17(16)27-20/h2-7,9,14H,8,10-11H2,1H3,(H,22,23,26)/t14-/m0/s1