ethyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=NN(C=C3C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=NN(C=C3C)C

InChI

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