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

Systemtic Name: N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C18H15F2N3O4S MolecularWeight: 407.391206

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F)F

InChI

InChI=1S/C18H15F2N3O4S/c1-2-27-8-7-22-16-14(20)9-12(19)10-15(16)28-18(22)21-17(24)11-3-5-13(6-4-11)23(25)26/h3-6,9-10H,2,7-8H2,1H3