2-(1,2-benzoxazol-3-ylmethyl)-3-sulfanyl-propanamide

Systemtic Name: 2-(1,2-benzoxazol-3-ylmethyl)-3-sulfanyl-propanamide Openeye Name: 2-(1,2-benzoxazol-3-ylmethyl)-3-sulfanyl-propanamide CAS Name: 2-(1,2-benzoxazol-3-ylmethyl)-3-mercaptopropanamide IUPAC Name: 2-(1,2-benzoxazol-3-ylmethyl)-3-sulfanylpropanamide Traditional Name: 2-(indoxazen-3-ylmethyl)-3-mercapto-propionamide Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(CS)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(CS)C(=O)N

InChI

InChI=1S/C11H12N2O2S/c12-11(14)7(6-16)5-9-8-3-1-2-4-10(8)15-13-9/h1-4,7,16H,5-6H2,(H2,12,14)