ethyl 3-[6-nitro-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-nitro-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-nitro-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-nitro-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-nitro-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-nitro-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S/c1-2-28-19(25)10-11-22-16-9-8-15(23(26)27)13-17(16)29-20(22)21-18(24)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3