2-fluoranyl-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: 2-fluoranyl-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: 2-fluoro-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: 2-fluoro-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: 2-fluoro-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: 2-fluoro-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C18H16FN3O5S2 MolecularWeight: 437.465143

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H16FN3O5S2/c1-26-6-7-27-10-28-18-21-15-5-2-11(8-16(15)29-18)20-17(23)13-4-3-12(22(24)25)9-14(13)19/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)