2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-4-5-13-10-18(23)27-19-12(2)16(7-6-14(13)19)26-11-17(22)21-15(20(24)25)8-9-28-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3,(H,21,22)(H,24,25)