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

Systemtic Name: (2S)-2-[(3-ethanoylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-acetylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(3-acetylphenyl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-acetylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-acetylphenyl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H16NO5S2- MolecularWeight: 330.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S2/c1-9(15)10-4-3-5-11(8-10)21(18,19)14-12(13(16)17)6-7-20-2/h3-5,8,12,14H,6-7H2,1-2H3,(H,16,17)/p-1/t12-/m0/s1