(2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2S)-2-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionate Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CSC)C(=O)[O-])C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@H](CSC)C(=O)[O-])C)C(=C1)O

InChI

InChI=1S/C17H19NO6S/c1-8-4-12(19)15-9(2)10(17(23)24-13(15)5-8)6-14(20)18-11(7-25-3)16(21)22/h4-5,11,19H,6-7H2,1-3H3,(H,18,20)(H,21,22)/p-1/t11-/m1/s1