ethyl 2-[(4-fluorophenyl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-fluorobenzoyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]-phenethylamino]-5-methyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorobenzoyl)-phenethylamino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H21FN2O3S/c1-3-28-21(27)19-15(2)29-22(24-19)25(14-13-16-7-5-4-6-8-16)20(26)17-9-11-18(23)12-10-17/h4-12H,3,13-14H2,1-2H3