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

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-3-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-3-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-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)C3COC4=CC=CC=C4O3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CC(=O)OCC

InChI

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