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

Systemtic Name: ethyl 3-[6-nitro-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-2-27-17(23)10-11-21-15-9-8-14(22(25)26)12-16(15)28-19(21)20-18(24)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3