(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H18NO4S2- MolecularWeight: 316.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C13H19NO4S2/c1-9-4-5-11(8-10(9)2)20(17,18)14-12(13(15)16)6-7-19-3/h4-5,8,12,14H,6-7H2,1-3H3,(H,15,16)/p-1/t12-/m0/s1