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

Systemtic Name: ethyl 2-[6-nitro-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-3-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H15N3O7S MolecularWeight: 453.4247

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=COC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15N3O7S/c1-2-30-18(25)10-23-15-8-7-12(24(28)29)9-17(15)32-21(23)22-20(27)14-11-31-16-6-4-3-5-13(16)19(14)26/h3-9,11H,2,10H2,1H3