methyl 2-[6-nitro-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(1,2-oxazol-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(isoxazole-5-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[5-isoxazolyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(1,2-oxazole-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(isoxazole-5-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C14H10N4O6S MolecularWeight: 362.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=NO3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=NO3

InChI

InChI=1S/C14H10N4O6S/c1-23-12(19)7-17-9-3-2-8(18(21)22)6-11(9)25-14(17)16-13(20)10-4-5-15-24-10/h2-6H,7H2,1H3