2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[[1-[[4-(methylthio)phenyl]methoxy]-2-naphthalenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[1-[4-(methylthio)benzyl]oxy-2-naphthoyl]amino]propionic acid Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H23NO4S/c1-23(2,22(26)27)24-21(25)19-13-10-16-6-4-5-7-18(16)20(19)28-14-15-8-11-17(29-3)12-9-15/h4-13H,14H2,1-3H3,(H,24,25)(H,26,27)