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

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[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-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C16H16N2O5S/c1-21-14(19)6-7-18-11-4-2-3-5-13(11)24-16(18)17-15(20)12-10-22-8-9-23-12/h2-5,10H,6-9H2,1H3