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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O4S/c1-2-29-9-8-24-15-7-6-14(25(27)28)11-16(15)30-18(24)23-17(26)12-4-3-5-13(10-12)19(20,21)22/h3-7,10-11H,2,8-9H2,1H3