methyl (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propanoate Openeye Name: methyl (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propanoate CAS Name: (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propanoate Traditional Name: (3S)-3-(1,3-dithiolan-2-yl)-3-(4-nitrophenyl)propionic acid methyl ester Formula: C13H15NO4S2 MolecularWeight: 313.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1SCCS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[C@H](C1SCCS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4S2/c1-18-12(15)8-11(13-19-6-7-20-13)9-2-4-10(5-3-9)14(16)17/h2-5,11,13H,6-8H2,1H3/t11-/m0/s1