(2S)-2-[(1-methylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1-methylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1-methylpyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1-methylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-methylpyrazole-4-carbonyl)amino]-4-(methylthio)butyrate Formula: C10H14N3O3S- MolecularWeight: 256.30146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C10H15N3O3S/c1-13-6-7(5-11-13)9(14)12-8(10(15)16)3-4-17-2/h5-6,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)/p-1/t8-/m0/s1