2-azanyl-3-oxidanylidene-3-(2-phenylphenyl)-2-(pyridin-3-yloxymethylsulfanylmethyl)propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-(2-phenylphenyl)-2-(pyridin-3-yloxymethylsulfanylmethyl)propanoic acid Openeye Name: 2-amino-3-oxo-3-(2-phenylphenyl)-2-(3-pyridyloxymethylsulfanylmethyl)propanoic acid CAS Name: 2-amino-3-oxo-3-(2-phenylphenyl)-2-[(3-pyridinyloxymethylthio)methyl]propanoic acid IUPAC Name: 2-amino-3-oxo-3-(2-phenylphenyl)-2-(pyridin-3-yloxymethylsulfanylmethyl)propanoic acid Traditional Name: 2-amino-3-keto-3-(2-phenylphenyl)-2-[(3-pyridyloxymethylthio)methyl]propionic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(CSCOC3=CN=CC=C3)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(CSCOC3=CN=CC=C3)(C(=O)O)N

InChI

InChI=1S/C22H20N2O4S/c23-22(21(26)27,14-29-15-28-17-9-6-12-24-13-17)20(25)19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-13H,14-15,23H2,(H,26,27)