methyl 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-(4-propanoyloxyphenyl)propanoate

Systemtic Name: methyl 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-(4-propanoyloxyphenyl)propanoate Openeye Name: methyl 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoate CAS Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-[4-(1-oxopropoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoate Traditional Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-(4-propionyloxyphenyl)propionic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)OC)O

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)OC)O

InChI

InChI=1S/C19H19NO7S/c1-3-17(21)27-14-10-8-13(9-11-14)19(23,18(22)26-2)12-28-16-7-5-4-6-15(16)20(24)25/h4-11,23H,3,12H2,1-2H3