ethyl 2-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-nitro-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-nitro-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C16H19N3O5S/c1-3-5-6-14(20)17-16-18(10-15(21)24-4-2)12-8-7-11(19(22)23)9-13(12)25-16/h7-9H,3-6,10H2,1-2H3