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

Systemtic Name: propyl 2-(4-acetyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoate Openeye Name: propyl 2-(4-acetoxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoate CAS Name: 2-(4-acetyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propanoic acid propyl ester IUPAC Name: propyl 2-(4-acetyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: 2-(4-acetoxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid propyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CSC1=CC=CC=C1[N+](=O)[O-])(C2=CC=C(C=C2)OC(=O)C)O

Isomeric SMILES

CCCOC(=O)C(CSC1=CC=CC=C1[N+](=O)[O-])(C2=CC=C(C=C2)OC(=O)C)O

InChI

InChI=1S/C20H21NO7S/c1-3-12-27-19(23)20(24,15-8-10-16(11-9-15)28-14(2)22)13-29-18-7-5-4-6-17(18)21(25)26/h4-11,24H,3,12-13H2,1-2H3