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

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C15H19FN2O5S MolecularWeight: 358.385163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)N)F

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN2O5S/c1-22-13-4-3-9(7-10(13)16)12(19)8-23-14(20)11(5-6-24-2)18-15(17)21/h3-4,7,11H,5-6,8H2,1-2H3,(H3,17,18,21)/t11-/m0/s1