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

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylcarbonyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1,3-benzodioxole-5-carbonyl(isopentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxole-5-carbonyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl(piperonyloyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O5S/c1-12(2)6-7-21(9-17-20-14(10-27-17)19(23)24-3)18(22)13-4-5-15-16(8-13)26-11-25-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3