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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-methyl-2-(phenethylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(phenethylamino)-5-thiazolecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-2-(phenethylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(phenethylamino)thiazole-5-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(SC(=N1)NCCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-14-19(29-21(24-14)23-12-11-15-5-3-2-4-6-15)20(27)28-13-18(26)25-17-9-7-16(22)8-10-17/h2-10H,11-13H2,1H3,(H,23,24)(H,25,26)