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

Systemtic Name: ethyl 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-(4-propanoyloxyphenyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoate Traditional Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-(4-propionyloxyphenyl)propionic acid ethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-3-18(22)28-15-11-9-14(10-12-15)20(24,19(23)27-4-2)13-29-17-8-6-5-7-16(17)21(25)26/h5-12,24H,3-4,13H2,1-2H3