N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O5S2/c1-4-24-16-12-17(28-2)18(29-3)13-19(16)30-21(24)23-20(25)6-5-11-31(26,27)15-9-7-14(22)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3