(2R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C26H28NO6S- MolecularWeight: 482.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C26H29NO6S/c1-3-4-10-19-13-24(29)33-25-17(2)22(12-11-20(19)25)32-14-23(28)27-21(26(30)31)16-34-15-18-8-6-5-7-9-18/h5-9,11-13,21H,3-4,10,14-16H2,1-2H3,(H,27,28)(H,30,31)/p-1/t21-/m0/s1