ethyl 2-[6-nitro-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-ketobenzo[f]chromene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H17N3O7S MolecularWeight: 503.48338

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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=CC4=C(C=CC5=CC=CC=C54)OC3=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

InChI

InChI=1S/C25H17N3O7S/c1-2-34-22(29)13-27-19-9-8-15(28(32)33)11-21(19)36-25(27)26-23(30)18-12-17-16-6-4-3-5-14(16)7-10-20(17)35-24(18)31/h3-12H,2,13H2,1H3