N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide Openeye Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonyl-acetamide CAS Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylacetamide IUPAC Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetamide Traditional Name: N-(6-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(2-keto-2-pyrrolidino-ethyl)sulfonyl-acetamide Formula: C18H18FN3O4S2 MolecularWeight: 423.481623

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

InChI

InChI=1S/C18H18FN3O4S2/c1-2-7-22-14-6-5-13(19)10-15(14)27-18(22)20-16(23)11-28(25,26)12-17(24)21-8-3-4-9-21/h1,5-6,10H,3-4,7-9,11-12H2