methyl (2S)-4-methylsulfanyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(4-methylsulfonylphenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(4-methylsulfonylbenzoyl)amino]butanoate CAS Name: (2S)-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(4-methylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-2-[(4-mesylbenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S2/c1-20-14(17)12(8-9-21-2)15-13(16)10-4-6-11(7-5-10)22(3,18)19/h4-7,12H,8-9H2,1-3H3,(H,15,16)/t12-/m0/s1