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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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