2-azanyl-4-[(2-cyanophenyl)methylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-4-[(2-cyanophenyl)methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[(2-cyanophenyl)methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[(2-cyanophenyl)methylthio]butanoic acid IUPAC Name: 2-amino-4-[(2-cyanophenyl)methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[(2-cyanobenzyl)thio]butyric acid Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCC(C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCC(C(=O)O)N)C#N

InChI

InChI=1S/C12H14N2O2S/c13-7-9-3-1-2-4-10(9)8-17-6-5-11(14)12(15)16/h1-4,11H,5-6,8,14H2,(H,15,16)