methyl (2R,3R)-2-acetyloxy-3-(2,4-dinitrophenyl)sulfanyl-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2R,3R)-2-acetyloxy-3-(2,4-dinitrophenyl)sulfanyl-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2R,3R)-2-acetoxy-3-(2,4-dinitrophenyl)sulfanyl-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-2-acetyloxy-3-[(2,4-dinitrophenyl)thio]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-acetyloxy-3-(2,4-dinitrophenyl)sulfanyl-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-2-acetoxy-3-[(2,4-dinitrophenyl)thio]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C19H18N2O9S MolecularWeight: 450.41922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C1=CC=C(C=C1)OC)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]([C@@H](C1=CC=C(C=C1)OC)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H18N2O9S/c1-11(22)30-17(19(23)29-3)18(12-4-7-14(28-2)8-5-12)31-16-9-6-13(20(24)25)10-15(16)21(26)27/h4-10,17-18H,1-3H3/t17-,18+/m0/s1