(2S)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CCSC)C(=O)[O-])O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CCSC)C(=O)[O-])O

InChI

InChI=1S/C17H19NO6S/c1-9-13(19)4-3-11-10(8-15(21)24-16(9)11)7-14(20)18-12(17(22)23)5-6-25-2/h3-4,8,12,19H,5-7H2,1-2H3,(H,18,20)(H,22,23)/p-1/t12-/m0/s1