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

Systemtic Name: methyl 2-(4-acetyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoate Openeye Name: methyl 2-(4-acetoxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoate CAS Name: 2-(4-acetyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(4-acetyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: 2-(4-acetoxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid methyl ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7S/c1-12(20)26-14-9-7-13(8-10-14)18(22,17(21)25-2)11-27-16-6-4-3-5-15(16)19(23)24/h3-10,22H,11H2,1-2H3