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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoate CAS Name: (2S)-2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfonylmethyl)benzoyl]amino]butanoate Traditional Name: (2S)-2-[[4-(mesylmethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S2/c1-21-15(18)13(8-9-22-2)16-14(17)12-6-4-11(5-7-12)10-23(3,19)20/h4-7,13H,8-10H2,1-3H3,(H,16,17)/t13-/m0/s1