2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C17H19NO7S/c1-8-10(7-14(21)18-11(16(22)23)3-4-26-2)17(24)25-13-6-9(19)5-12(20)15(8)13/h5-6,11,19-20H,3-4,7H2,1-2H3,(H,18,21)(H,22,23)