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

Systemtic Name: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2-chlorobenzyl)-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=C4Cl

InChI

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