(3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]thian-4-one

Systemtic Name: (3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]thian-4-one Openeye Name: (3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]tetrahydrothiopyran-4-one CAS Name: (3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitroethyl]-4-thianone IUPAC Name: (3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitroethyl]thian-4-one Traditional Name: (3S)-3-[(1R)-1-(2-chlorophenyl)-2-nitro-ethyl]tetrahydrothiopyran-4-one Formula: C13H14ClNO3S MolecularWeight: 299.77316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)C(C[N+](=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C1CSC[C@H](C1=O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C13H14ClNO3S/c14-12-4-2-1-3-9(12)10(7-15(17)18)11-8-19-6-5-13(11)16/h1-4,10-11H,5-8H2/t10-,11-/m0/s1