[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C14H17FN2O4S MolecularWeight: 328.359183

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC(=CC=C1)F)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)C1=CC(=CC=C1)F)NC(=O)N

InChI

InChI=1S/C14H17FN2O4S/c1-22-6-5-11(17-14(16)20)13(19)21-8-12(18)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6,8H2,1H3,(H3,16,17,20)/t11-/m0/s1