2-methyl-2-[6-(methylsulfanylmethyl)-4-oxidanylidene-5-phenyl-2H-1,3-oxazin-3-yl]propanoic acid

Systemtic Name: 2-methyl-2-[6-(methylsulfanylmethyl)-4-oxidanylidene-5-phenyl-2H-1,3-oxazin-3-yl]propanoic acid Openeye Name: 2-methyl-2-[6-(methylsulfanylmethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]propanoic acid CAS Name: 2-methyl-2-[6-[(methylthio)methyl]-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]propanoic acid IUPAC Name: 2-methyl-2-[6-(methylsulfanylmethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]propanoic acid Traditional Name: 2-[4-keto-6-[(methylthio)methyl]-5-phenyl-2H-1,3-oxazin-3-yl]-2-methyl-propionic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1COC(=C(C1=O)C2=CC=CC=C2)CSC

Isomeric SMILES

CC(C)(C(=O)O)N1COC(=C(C1=O)C2=CC=CC=C2)CSC

InChI

InChI=1S/C16H19NO4S/c1-16(2,15(19)20)17-10-21-12(9-22-3)13(14(17)18)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20)