(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C21H26NO6S- MolecularWeight: 420.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-4-5-6-14-11-19(24)28-20-13(2)17(8-7-15(14)20)27-12-18(23)22-16(21(25)26)9-10-29-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3,(H,22,23)(H,25,26)/p-1/t16-/m0/s1