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

Systemtic Name: methyl 2-[2-[2-(4-fluorophenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-fluorophenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-fluorophenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-fluorophenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-fluorophenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14FN3O5S MolecularWeight: 403.384263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FN3O5S/c1-27-17(24)10-21-14-9-13(22(25)26)6-7-15(14)28-18(21)20-16(23)8-11-2-4-12(19)5-3-11/h2-7,9H,8,10H2,1H3