(2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(2-fluorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-4-(methylthio)butyrate Formula: C16H16FN2O3S2- MolecularWeight: 367.438243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H17FN2O3S2/c1-9-13(14(20)19-12(16(21)22)7-8-23-2)24-15(18-9)10-5-3-4-6-11(10)17/h3-6,12H,7-8H2,1-2H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1