2-[[6-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2-fluoro-4-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(2-fluoro-4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2-fluoro-4-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2-fluoro-4-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H14FN3O5S2 MolecularWeight: 435.449263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H14FN3O5S2/c1-10(23)27-6-7-28-18-21-15-5-2-11(8-16(15)29-18)20-17(24)13-4-3-12(22(25)26)9-14(13)19/h2-5,8-9H,6-7H2,1H3,(H,20,24)