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

Systemtic Name: ethyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-nitro-2-(1-oxobutylimino)-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-butanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-butyrylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-3-5-14(20)17-16-18(9-8-15(21)24-4-2)12-7-6-11(19(22)23)10-13(12)25-16/h6-7,10H,3-5,8-9H2,1-2H3