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

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCC(=O)OC

InChI

InChI=1S/C18H20N2O5S/c1-3-12-4-5-13-15(10-12)26-18(20(13)7-6-16(21)23-2)19-17(22)14-11-24-8-9-25-14/h4-5,10-11H,3,6-9H2,1-2H3