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

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylcarbonyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-25-20(24)15-11-28-18(21-15)10-22(14-5-3-2-4-6-14)19(23)13-7-8-16-17(9-13)27-12-26-16/h7-9,11,14H,2-6,10,12H2,1H3