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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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