(4-nitrophenyl)methyl 4-methyl-3-oxidanylidene-5-phenylsulfanyl-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-methyl-3-oxidanylidene-5-phenylsulfanyl-pentanoate Openeye Name: (4-nitrophenyl)methyl 4-methyl-3-oxo-5-phenylsulfanyl-pentanoate CAS Name: 4-methyl-3-oxo-5-(phenylthio)pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methyl-3-oxo-5-phenylsulfanylpentanoate Traditional Name: 3-keto-4-methyl-5-(phenylthio)valeric acid (4-nitrobenzyl) ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CSC1=CC=CC=C1)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO5S/c1-14(13-26-17-5-3-2-4-6-17)18(21)11-19(22)25-12-15-7-9-16(10-8-15)20(23)24/h2-10,14H,11-13H2,1H3