(2S)-2-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-keto-6-methyl-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H16N3O5S2- MolecularWeight: 358.41324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC(CCSC)C(=O)[O-])NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])NC(=O)N2

InChI

InChI=1S/C13H17N3O5S2/c1-7-5-9-10(15-13(19)14-9)6-11(7)23(20,21)16-8(12(17)18)3-4-22-2/h5-6,8,16H,3-4H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t8-/m0/s1