(2R)-2-[2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-9-4-12(16-10(2)6-15(20)24-13(16)5-9)23-7-14(19)18-11(8-25-3)17(21)22/h4-6,11H,7-8H2,1-3H3,(H,18,19)(H,21,22)/p-1/t11-/m0/s1