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

Systemtic Name: (2R)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]propionate Formula: C25H26NO6S- MolecularWeight: 468.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C25H27NO6S/c1-2-3-9-18-12-24(28)32-22-13-19(10-11-20(18)22)31-14-23(27)26-21(25(29)30)16-33-15-17-7-5-4-6-8-17/h4-8,10-13,21H,2-3,9,14-16H2,1H3,(H,26,27)(H,29,30)/p-1/t21-/m0/s1