N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H19FN2O3S2/c1-2-13-24-20-17(22)10-6-11-18(20)28-21(24)23-19(25)12-7-14-29(26,27)15-16-8-4-3-5-9-16/h1,3-6,8-11H,7,12-15H2