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

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O7S2/c1-3-28-19(24)11-23-14-9-8-13(32(2,26)27)10-18(14)31-21(23)22-20(25)17-12-29-15-6-4-5-7-16(15)30-17/h4-10,17H,3,11-12H2,1-2H3