ethyl (2S)-2-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C18H20ClFN2O4S MolecularWeight: 414.878803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C18H20ClFN2O4S/c1-4-25-18(24)13(8-9-27-3)21-17(23)14-10(2)26-22-16(14)15-11(19)6-5-7-12(15)20/h5-7,13H,4,8-9H2,1-3H3,(H,21,23)/t13-/m0/s1