(2R)-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]propionate Formula: C21H18NO6S- MolecularWeight: 412.43572

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/c23-19(11-27-16-8-6-15-7-9-20(24)28-18(15)10-16)22-17(21(25)26)13-29-12-14-4-2-1-3-5-14/h1-10,17H,11-13H2,(H,22,23)(H,25,26)/p-1/t17-/m0/s1