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

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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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)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-3-29-21(27)13-8-9-14-18(10-13)32-22(24(14)11-19(25)28-2)23-20(26)17-12-30-15-6-4-5-7-16(15)31-17/h4-10,17H,3,11-12H2,1-2H3