2-[(3-cyanophenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3-cyanophenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(3-cyanophenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(3-cyanophenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(3-cyanobenzyl)amino]-3-mercapto-propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(CS)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC(CS)C(=O)O)C#N

InChI

InChI=1S/C11H12N2O2S/c12-5-8-2-1-3-9(4-8)6-13-10(7-16)11(14)15/h1-4,10,13,16H,6-7H2,(H,14,15)