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

Systemtic Name: ethyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-2-23-15(20)7-8-19-12-5-3-4-6-14(12)25-17(19)18-16(21)13-11-22-9-10-24-13/h3-6,11H,2,7-10H2,1H3