ethyl 3-[6-fluoranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-fluoranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-fluoro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-fluoro-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-fluoro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-fluoro-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H14FN3O6S MolecularWeight: 407.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O6S/c1-2-26-15(22)7-8-20-11-4-3-10(18)9-13(11)28-17(20)19-16(23)12-5-6-14(27-12)21(24)25/h3-6,9H,2,7-8H2,1H3