diethyl 2-[2-methylsulfanyl-1-(4-nitrophenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-methylsulfanyl-1-(4-nitrophenyl)ethyl]propanedioate Openeye Name: diethyl 2-[2-methylsulfanyl-1-(4-nitrophenyl)ethyl]propanedioate CAS Name: 2-[2-(methylthio)-1-(4-nitrophenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-methylsulfanyl-1-(4-nitrophenyl)ethyl]propanedioate Traditional Name: 2-[2-(methylthio)-1-(4-nitrophenyl)ethyl]malonic acid diethyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S/c1-4-22-15(18)14(16(19)23-5-2)13(10-24-3)11-6-8-12(9-7-11)17(20)21/h6-9,13-14H,4-5,10H2,1-3H3