2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(7,8-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=C1C=CC(=C2O)O)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C17H19NO7S/c1-8-9-3-4-12(19)14(21)15(9)25-17(24)10(8)7-13(20)18-11(16(22)23)5-6-26-2/h3-4,11,19,21H,5-7H2,1-2H3,(H,18,20)(H,22,23)