N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Openeye Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide CAS Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide Traditional Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C17H13F2N3O4S MolecularWeight: 393.364626

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F)F

Isomeric SMILES

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F)F

InChI

InChI=1S/C17H13F2N3O4S/c1-26-7-6-21-15-13(19)8-11(18)9-14(15)27-17(21)20-16(23)10-2-4-12(5-3-10)22(24)25/h2-5,8-9H,6-7H2,1H3