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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[4-[(methylthio)methyl]benzoyl]amino]butyric acid methyl ester Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S2/c1-19-15(18)13(8-9-20-2)16-14(17)12-6-4-11(5-7-12)10-21-3/h4-7,13H,8-10H2,1-3H3,(H,16,17)/t13-/m0/s1