methyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]acetic acid methyl ester Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5S/c1-17-11(14)7-18-6-10(13)8-3-2-4-9(5-8)12(15)16/h2-5H,6-7H2,1H3