(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(2-nitrophenyl)sulfanylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(2-nitrophenyl)sulfanylbenzoate Openeye Name: 1-benzoylpropyl 2-(2-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(2-nitrophenyl)thio]benzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-nitrophenyl)thio]benzoic acid 1-benzoylpropyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H19NO5S/c1-2-19(22(25)16-10-4-3-5-11-16)29-23(26)17-12-6-8-14-20(17)30-21-15-9-7-13-18(21)24(27)28/h3-15,19H,2H2,1H3