ethyl 2-[2-(2,5-dimethylpyrazol-3-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,5-dimethylpyrazol-3-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,5-dimethylpyrazole-3-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NN3C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NN3C)C

InChI

InChI=1S/C17H17N5O5S/c1-4-27-15(23)9-21-12-8-11(22(25)26)5-6-14(12)28-17(21)18-16(24)13-7-10(2)19-20(13)3/h5-8H,4,9H2,1-3H3