(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: (2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: (2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: (2S)-2-acetamido-3-methyl-3-(nitrosothio)butanoate IUPAC Name: (2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: (2S)-2-acetamido-3-methyl-3-(nitrosothio)butyrate Formula: C7H11N2O4S- MolecularWeight: 219.23824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)[O-])C(C)(C)SN=O

Isomeric SMILES

CC(=O)N[C@@H](C(=O)[O-])C(C)(C)SN=O

InChI

InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/p-1/t5-/m0/s1