propan-2-yl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: isopropyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[[4-(methylthio)-2-nitrophenyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylsulfanyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[[4-(methylthio)-2-nitro-phenyl]thio]acetic acid isopropyl ester Formula: C12H15NO4S2 MolecularWeight: 301.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S2/c1-8(2)17-12(14)7-19-11-5-4-9(18-3)6-10(11)13(15)16/h4-6,8H,7H2,1-3H3