ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(benzofuran-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-benzofuran-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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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=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H15N3O6S/c1-2-28-18(24)11-22-14-8-7-13(23(26)27)10-17(14)30-20(22)21-19(25)16-9-12-5-3-4-6-15(12)29-16/h3-10H,2,11H2,1H3