[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H19NO5S/c1-12-8-14(3)17(9-13(12)2)18(21)10-25-19(22)11-26-16-6-4-15(5-7-16)20(23)24/h4-9H,10-11H2,1-3H3