1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(1,3-benzoxazol-2-ylthio)acetyl]proline Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-12(16-7-3-5-10(16)13(18)19)8-21-14-15-9-4-1-2-6-11(9)20-14/h1-2,4,6,10H,3,5,7-8H2,(H,18,19)