(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO5S/c1-27-19-10-9-14(11-17(19)21(24)25)20(23)26-12-18(22)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,12H2,1H3