methyl 2-[[(4-fluorophenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-fluorophenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-fluorobenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-fluorophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-fluorobenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O3S/c1-12(2)8-9-21(17(22)13-4-6-14(19)7-5-13)10-16-20-15(11-25-16)18(23)24-3/h4-7,11-12H,8-10H2,1-3H3