(2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoate Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-4-(methylthio)butyrate Formula: C21H18NO5S- MolecularWeight: 396.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H19NO5S/c1-28-10-9-17(20(24)25)22-19(23)15-7-4-6-13(11-15)16-12-14-5-2-3-8-18(14)27-21(16)26/h2-8,11-12,17H,9-10H2,1H3,(H,22,23)(H,24,25)/p-1/t17-/m0/s1