(2S)-4-methylsulfanyl-2-(quinolin-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(quinolin-2-ylcarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(quinoline-2-carbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(2-quinolinyl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(quinoline-2-carbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(quinaldoylamino)butyrate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C15H16N2O3S/c1-21-9-8-13(15(19)20)17-14(18)12-7-6-10-4-2-3-5-11(10)16-12/h2-7,13H,8-9H2,1H3,(H,17,18)(H,19,20)/p-1/t13-/m0/s1