3-(4-hydroxyphenyl)-2-[(4-methylsulfanylphenyl)iminocarbamoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(4-methylsulfanylphenyl)iminocarbamoylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(4-methylsulfanylphenyl)iminocarbamoylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[[4-(methylthio)phenyl]azo-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(4-methylsulfanylphenyl)iminocarbamoylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-(methylthio)phenyl]iminocarbamoylamino]propionic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H17N3O4S/c1-25-14-8-4-12(5-9-14)19-20-17(24)18-15(16(22)23)10-11-2-6-13(21)7-3-11/h2-9,15,21H,10H2,1H3,(H,18,24)(H,22,23)