[(1S)-1-(3-nitrophenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C17H14N2O5S MolecularWeight: 358.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H14N2O5S/c1-11(12-5-4-6-13(9-12)19(21)22)23-16(20)10-25-17-18-14-7-2-3-8-15(14)24-17/h2-9,11H,10H2,1H3/t11-/m0/s1