ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-5-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=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

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