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

Systemtic Name: ethyl 2-[[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-fluorophenyl)carbamoyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-fluoroanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-fluorophenyl)carbamoyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H24FN3O3S MolecularWeight: 393.475563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C19H24FN3O3S/c1-4-26-18(24)16-12-27-17(22-16)11-23(9-8-13(2)3)19(25)21-15-7-5-6-14(20)10-15/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,21,25)