(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (7-methyl-2-oxo-4-propyl-chromen-5-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-7-methyl-4-propyl-chromen-5-yl) ester Formula: C26H29NO6S MolecularWeight: 483.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO6S/c1-4-8-19-15-23(28)32-21-13-17(2)14-22(24(19)21)33-25(29)20(11-12-34-3)27-26(30)31-16-18-9-6-5-7-10-18/h5-7,9-10,13-15,20H,4,8,11-12,16H2,1-3H3,(H,27,30)