(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (5-hydroxy-4-oxo-2-phenyl-chromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (5-hydroxy-4-keto-2-phenyl-chromen-7-yl) ester Formula: C22H21NO6S MolecularWeight: 427.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21NO6S/c1-13(24)23-16(8-9-30-2)22(27)28-15-10-17(25)21-18(26)12-19(29-20(21)11-15)14-6-4-3-5-7-14/h3-7,10-12,16,25H,8-9H2,1-2H3,(H,23,24)