(2S)-4-methylsulfanyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-4-(methylthio)butyrate Formula: C14H16N3O4S- MolecularWeight: 322.35954

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)N1CC(=O)NC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)N1CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C14H17N3O4S/c1-22-7-6-10(13(19)20)16-14(21)17-8-12(18)15-9-4-2-3-5-11(9)17/h2-5,10H,6-8H2,1H3,(H,15,18)(H,16,21)(H,19,20)/p-1/t10-/m0/s1