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

Systemtic Name: ethyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O6S/c1-3-29-20(27)12-25-16-6-5-15(23-13(2)26)11-19(16)32-22(25)24-21(28)14-4-7-17-18(10-14)31-9-8-30-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,23,26)