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

Systemtic Name: ethyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-nitro-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-butyrylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-3-5-13(19)16-15-17(9-14(20)23-4-2)11-7-6-10(18(21)22)8-12(11)24-15/h6-8H,3-5,9H2,1-2H3