methyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(2-chloro-2-phenyl-acetyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2-chloro-1-oxo-2-phenylethyl)-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-2-phenylacetyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-2-phenyl-acetyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-13(2)9-10-22(11-16-21-15(12-26-16)19(24)25-3)18(23)17(20)14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3