diethyl (1S,2S,3S)-1-methylsulfanyl-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylate

Systemtic Name: diethyl (1S,2S,3S)-1-methylsulfanyl-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylate Openeye Name: diethyl (1S,2S,3S)-1-methylsulfanyl-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylate CAS Name: (1S,2S,3S)-1-(methylthio)-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3S)-1-methylsulfanyl-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylate Traditional Name: (1S,2S,3S)-1-(methylthio)-3-(4-nitrophenyl)cyclopropane-1,2-dicarboxylic acid diethyl ester Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C1(C(=O)OCC)SC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@]1(C(=O)OCC)SC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6S/c1-4-22-14(18)13-12(16(13,24-3)15(19)23-5-2)10-6-8-11(9-7-10)17(20)21/h6-9,12-13H,4-5H2,1-3H3/t12-,13+,16+/m1/s1