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

Systemtic Name: ethyl 3-[6-chloranyl-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-chloro-2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-chloro-2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(2,3-dihydro-p-dioxin-5-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C17H17ClN2O5S/c1-2-24-15(21)5-6-20-12-4-3-11(18)9-14(12)26-17(20)19-16(22)13-10-23-7-8-25-13/h3-4,9-10H,2,5-8H2,1H3