2-(2-fluoranylphenoxy)-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(2-fluoranylphenoxy)-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(2-fluorophenoxy)-N-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(2-fluorophenoxy)-N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(2-fluorophenoxy)-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(2-fluorophenoxy)-N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H20FN3O3S2 MolecularWeight: 445.530203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O3S2/c22-15-5-1-2-6-17(15)28-12-19(26)23-14-7-8-16-18(11-14)30-21(24-16)29-13-20(27)25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,23,26)