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

Systemtic Name: ethyl 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]acetic acid ethyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-2-18-12(15)8-19-7-11(14)9-4-3-5-10(6-9)13(16)17/h3-6H,2,7-8H2,1H3