ethyl 2-[[1,3-benzodioxol-5-ylcarbonyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[1,3-benzodioxol-5-ylcarbonyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1,3-benzodioxole-5-carbonyl(cyclohexyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[1,3-benzodioxol-5-yl(oxo)methyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1,3-benzodioxole-5-carbonyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl(piperonyloyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5S/c1-2-26-21(25)16-12-29-19(22-16)11-23(15-6-4-3-5-7-15)20(24)14-8-9-17-18(10-14)28-13-27-17/h8-10,12,15H,2-7,11,13H2,1H3