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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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