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

Systemtic Name: ethyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-4-26-18(23)7-8-22-15-6-5-14(13(2)3)11-17(15)28-20(22)21-19(24)16-12-25-9-10-27-16/h5-6,11-13H,4,7-10H2,1-3H3