methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCCO4)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCCO4)N2CCC(=O)OC

InChI

InChI=1S/C22H22N2O7S/c1-27-15-6-7-16(28-2)20-19(15)24(9-8-18(25)29-3)22(32-20)23-21(26)13-4-5-14-17(12-13)31-11-10-30-14/h4-7,12H,8-11H2,1-3H3