methyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-chloro-2-nitro-benzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-chloro-2-nitrobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chloro-2-nitro-benzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H11ClFN3O5S MolecularWeight: 423.802743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C17H11ClFN3O5S/c1-27-14(23)8-21-15-11(19)3-2-4-13(15)28-17(21)20-16(24)10-7-9(18)5-6-12(10)22(25)26/h2-7H,8H2,1H3