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

Systemtic Name: methyl 2-[[6-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-fluoro-4-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(2-fluoro-4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-fluoro-4-nitrobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(2-fluoro-4-nitro-benzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H12FN3O5S2 MolecularWeight: 421.422683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H12FN3O5S2/c1-26-15(22)8-27-17-20-13-5-2-9(6-14(13)28-17)19-16(23)11-4-3-10(21(24)25)7-12(11)18/h2-7H,8H2,1H3,(H,19,23)