methyl 2-[6-bromanyl-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2,3-dihydro-p-dioxin-5-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H13BrN2O5S MolecularWeight: 413.24312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C15H13BrN2O5S/c1-21-13(19)7-18-10-3-2-9(16)6-12(10)24-15(18)17-14(20)11-8-22-4-5-23-11/h2-3,6,8H,4-5,7H2,1H3