[(1R)-1-cyanoethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C11H10N2O4S MolecularWeight: 266.2731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4S/c1-8(6-12)17-11(14)7-18-10-4-2-9(3-5-10)13(15)16/h2-5,8H,7H2,1H3/t8-/m1/s1