methyl 2-[6-nitro-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O6S/c1-26-17(23)10-20-14-8-7-12(21(24)25)9-15(14)28-18(20)19-16(22)11-27-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3