(2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C23H30NO6S- MolecularWeight: 448.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(CCSC)C(=O)[O-])OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@@H](CCSC)C(=O)[O-])OC1=O)C

InChI

InChI=1S/C23H31NO6S/c1-4-5-6-7-8-18-15(2)17-10-9-16(13-20(17)30-23(18)28)29-14-21(25)24-19(22(26)27)11-12-31-3/h9-10,13,19H,4-8,11-12,14H2,1-3H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1