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

Systemtic Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C21H21N3O2S/c1-13-6-8-15(9-7-13)11-24-12-16(10-18(24)25)20(26)23-21-22-19-14(2)4-3-5-17(19)27-21/h3-9,16H,10-12H2,1-2H3,(H,22,23,26)/t16-/m0/s1