methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC)OC

InChI

InChI=1S/C21H20N2O7S/c1-26-15-9-13-18(10-16(15)27-2)31-21(23(13)11-19(24)28-3)22-20(25)12-4-5-14-17(8-12)30-7-6-29-14/h4-5,8-10H,6-7,11H2,1-3H3