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

Systemtic Name: (2R)-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C24H24NO6S- MolecularWeight: 454.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H25NO6S/c1-2-6-17-11-23(27)31-21-12-18(9-10-19(17)21)30-13-22(26)25-20(24(28)29)15-32-14-16-7-4-3-5-8-16/h3-5,7-12,20H,2,6,13-15H2,1H3,(H,25,26)(H,28,29)/p-1/t20-/m0/s1