(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO6S/c1-15-11-19-22(16(2)13-21(26)30-19)20(12-15)31-23(27)18(9-10-32-3)25-24(28)29-14-17-7-5-4-6-8-17/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,25,28)