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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H20N2O5S/c1-3-26-18(24)12-23-19-13(2)5-4-6-17(19)29-21(23)22-20(25)14-7-8-15-16(11-14)28-10-9-27-15/h4-8,11H,3,9-10,12H2,1-2H3