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

Systemtic Name: N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H23FN2O4S2/c1-28-13-12-24-20-17(22)9-5-10-18(20)29-21(24)23-19(25)11-6-14-30(26,27)15-16-7-3-2-4-8-16/h2-5,7-10H,6,11-15H2,1H3