2-(ethanoylsulfanylmethyl)-3-(4-nitrophenyl)butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-nitrophenyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-nitrophenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-nitrophenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-nitrophenyl)butyric acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-8(12(13(16)17)7-20-9(2)15)10-3-5-11(6-4-10)14(18)19/h3-6,8,12H,7H2,1-2H3,(H,16,17)