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

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OCC

InChI

InChI=1S/C22H22N2O6S/c1-3-27-15-6-7-16-19(12-15)31-22(24(16)13-20(25)28-4-2)23-21(26)14-5-8-17-18(11-14)30-10-9-29-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3