N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H25FN2O4S2 MolecularWeight: 464.573303

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C22H25FN2O4S2/c1-2-29-14-13-25-21-18(23)10-6-11-19(21)30-22(25)24-20(26)12-7-15-31(27,28)16-17-8-4-3-5-9-17/h3-6,8-11H,2,7,12-16H2,1H3