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

Systemtic Name: ethyl 2-[6-bromanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17BrN2O5S/c1-2-26-18(24)11-23-14-5-4-13(21)10-17(14)29-20(23)22-19(25)12-3-6-15-16(9-12)28-8-7-27-15/h3-6,9-10H,2,7-8,11H2,1H3