ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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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=C3)OCCO4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17N3O7S/c1-2-28-18(24)11-22-14-5-4-13(23(26)27)10-17(14)31-20(22)21-19(25)12-3-6-15-16(9-12)30-8-7-29-15/h3-6,9-10H,2,7-8,11H2,1H3