(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H21NO7S2 MolecularWeight: 463.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO7S2/c1-30-10-9-18(22-31(26,27)16-5-3-2-4-6-16)21(25)28-13-14-11-20(24)29-19-12-15(23)7-8-17(14)19/h2-8,11-12,18,22-23H,9-10,13H2,1H3/t18-/m0/s1