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

Systemtic Name: methyl (2R,3R)-2-acetyloxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-propanoate Openeye Name: methyl (2R,3R)-2-acetoxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-propanoate CAS Name: (2R,3R)-2-acetyloxy-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-acetyloxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: (2R,3R)-2-acetoxy-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]propionic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-12(21)27-17(19(22)26-3)18(13-8-10-14(25-2)11-9-13)28-16-7-5-4-6-15(16)20(23)24/h4-11,17-18H,1-3H3/t17-,18+/m0/s1