2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCSC)C(=O)O

InChI

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