(4-oxidanylidene-3-phenoxy-chromen-7-yl) (2R)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) (2R)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) (2R)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) (2R)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-keto-3-phenoxy-chromen-7-yl) ester Formula: C28H25NO7S MolecularWeight: 519.5656

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSCC[C@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO7S/c1-37-15-14-23(29-28(32)34-17-19-8-4-2-5-9-19)27(31)36-21-12-13-22-24(16-21)33-18-25(26(22)30)35-20-10-6-3-7-11-20/h2-13,16,18,23H,14-15,17H2,1H3,(H,29,32)/t23-/m1/s1