ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-3-nitro-benzoic acid ethyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c1-3-19-12(15)8-21-11-6-5-9(13(16)20-4-2)7-10(11)14(17)18/h5-7H,3-4,8H2,1-2H3