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

Systemtic Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O5S/c1-2-26-19(24)9-10-23-15-5-3-4-6-18(15)29-21(23)22-20(25)14-7-8-16-17(13-14)28-12-11-27-16/h3-8,13H,2,9-12H2,1H3