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

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H24F3NO7S MolecularWeight: 587.56357

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)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(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H24F3NO7S/c1-41-15-14-22(33-28(36)37-17-18-8-4-2-5-9-18)27(35)39-20-12-13-21-23(16-20)40-26(29(30,31)32)25(24(21)34)38-19-10-6-3-7-11-19/h2-13,16,22H,14-15,17H2,1H3,(H,33,36)/t22-/m1/s1