4-[4-(1,3-oxazol-5-yl)phenyl]aniline; 2-sulfanylpropanoic acid

Systemtic Name: 4-[4-(1,3-oxazol-5-yl)phenyl]aniline; 2-sulfanylpropanoic acid Openeye Name: 4-(4-oxazol-5-ylphenyl)aniline; 2-sulfanylpropanoic acid CAS Name: 2-mercaptopropanoic acid; 4-[4-(5-oxazolyl)phenyl]aniline IUPAC Name: 4-[4-(1,3-oxazol-5-yl)phenyl]aniline; 2-sulfanylpropanoic acid Traditional Name: 2-mercaptopropionic acid; [4-(4-oxazol-5-ylphenyl)phenyl]amine Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CN=CO3

Isomeric SMILES

CC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CN=CO3

InChI

InChI=1S/C15H12N2O.C3H6O2S/c16-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-17-10-18-15;1-2(6)3(4)5/h1-10H,16H2;2,6H,1H3,(H,4,5)