methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-fluorophenyl)thio]-1-oxopropyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-fluorophenyl)thio]propanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H16FN3O5S2 MolecularWeight: 449.475843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O5S2/c1-28-18(25)11-22-15-10-13(23(26)27)4-7-16(15)30-19(22)21-17(24)8-9-29-14-5-2-12(20)3-6-14/h2-7,10H,8-9,11H2,1H3