(2R)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C27H22NO6S- MolecularWeight: 488.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO6S/c29-25(28-23(27(31)32)17-35-16-18-7-3-1-4-8-18)15-33-20-11-12-21-22(19-9-5-2-6-10-19)14-26(30)34-24(21)13-20/h1-14,23H,15-17H2,(H,28,29)(H,31,32)/p-1/t23-/m0/s1