ethyl 2-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2,2-dimethyl-1-oxopropyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-nitro-2-pivaloylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C(C)(C)C

InChI

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