ethyl (2S)-4-methylsulfanyl-2-[2-(phenylcarbonylsulfanyl)propanoylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[2-(phenylcarbonylsulfanyl)propanoylamino]butanoate Openeye Name: ethyl (2S)-2-(2-benzoylsulfanylpropanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(benzoylthio)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2-benzoylsulfanylpropanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(benzoylthio)propanoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(C)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C(C)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H23NO4S2/c1-4-22-16(20)14(10-11-23-3)18-15(19)12(2)24-17(21)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,19)/t12?,14-/m0/s1