[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C21H22FNO5S/c1-27-19-9-8-15(12-16(19)22)18(24)13-28-21(26)17(10-11-29-2)23-20(25)14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,23,25)/t17-/m0/s1