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

Systemtic Name: ethyl 2-[2-[2-(4-fluorophenyl)sulfanylethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-fluorophenyl)sulfanylacetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[(4-fluorophenyl)thio]-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-fluorophenyl)sulfanylacetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[(4-fluorophenyl)thio]acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H16FN3O5S2 MolecularWeight: 449.475843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O5S2/c1-2-28-18(25)10-22-15-9-13(23(26)27)5-8-16(15)30-19(22)21-17(24)11-29-14-6-3-12(20)4-7-14/h3-9H,2,10-11H2,1H3