ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CCOC

InChI

InChI=1S/C22H22N2O6S/c1-3-28-21(26)14-8-9-15-19(12-14)31-22(24(15)10-11-27-2)23-20(25)18-13-29-16-6-4-5-7-17(16)30-18/h4-9,12,18H,3,10-11,13H2,1-2H3