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

Systemtic Name: methyl 3-[6-chloranyl-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5S/c1-22-14(20)4-5-19-11-3-2-10(17)8-13(11)25-16(19)18-15(21)12-9-23-6-7-24-12/h2-3,8-9H,4-7H2,1H3