(2R)-2-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2R)-2-[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(2-keto-5,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionate Formula: C18H20NO7S- MolecularWeight: 394.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)NC(CSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N[C@@H](CSC)C(=O)[O-]

InChI

InChI=1S/C18H21NO7S/c1-9-11(7-15(20)19-12(8-27-4)17(21)22)18(23)26-14-6-10(24-2)5-13(25-3)16(9)14/h5-6,12H,7-8H2,1-4H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1