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

Systemtic Name: ethyl 2-[6-bromanyl-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O5S/c1-2-23-14(20)8-19-11-4-3-10(17)7-13(11)25-16(19)18-15(21)12-9-22-5-6-24-12/h3-4,7,9H,2,5-6,8H2,1H3