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

Systemtic Name: methyl 3-[6-nitro-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-nitro-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-nitro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O6S/c1-27-18(24)9-10-21-15-8-7-13(22(25)26)11-16(15)29-19(21)20-17(23)12-28-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3