methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC)C

InChI

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