(3S)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C20H18FN3O2S/c21-15-6-7-16-17(11-15)27-20(22-16)23-19(26)14-10-18(25)24(12-14)9-8-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H,22,23,26)/t14-/m0/s1