N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H18F2N2O3S2 MolecularWeight: 448.506026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N2O3S2/c1-2-10-25-20-17(23)12-16(22)13-18(20)29-21(25)24-19(26)9-6-11-30(27,28)14-15-7-4-3-5-8-15/h1,3-5,7-8,12-13H,6,9-11,14H2