(2S)-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C20H24NO6S- MolecularWeight: 406.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-4-5-13-10-18(23)27-16-9-12(2)8-15(19(13)16)26-11-17(22)21-14(20(24)25)6-7-28-3/h8-10,14H,4-7,11H2,1-3H3,(H,21,22)(H,24,25)/p-1/t14-/m0/s1