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

Systemtic Name: propyl 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-(4-propanoyloxyphenyl)propanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoate Traditional Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-(4-propionyloxyphenyl)propionic acid propyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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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)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-3-13-28-20(24)21(25,14-30-18-8-6-5-7-17(18)22(26)27)15-9-11-16(12-10-15)29-19(23)4-2/h5-12,25H,3-4,13-14H2,1-2H3