ethyl 2-[2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl(pentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl(pentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2,3-dihydro-1,4-benzodioxine-3-carbonyl(pentyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2,3-dihydro-1,4-benzodioxine-3-carbonyl(pentyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl(2,3-dihydro-1,4-benzodioxin-3-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H26N2O5S/c1-4-6-9-12-23(21-22-14(3)18(29-21)20(25)26-5-2)19(24)17-13-27-15-10-7-8-11-16(15)28-17/h7-8,10-11,17H,4-6,9,12-13H2,1-3H3