dimethyl (1R,2S)-1-cyano-4-phenylsulfanyl-cyclobutane-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-1-cyano-4-phenylsulfanyl-cyclobutane-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-1-cyano-4-phenylsulfanyl-cyclobutane-1,2-dicarboxylate CAS Name: (1R,2S)-1-cyano-4-(phenylthio)cyclobutane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-1-cyano-4-phenylsulfanylcyclobutane-1,2-dicarboxylate Traditional Name: (1R,2S)-1-cyano-4-(phenylthio)cyclobutane-1,2-dicarboxylic acid dimethyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C1(C#N)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CC([C@]1(C#N)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C15H15NO4S/c1-19-13(17)11-8-12(15(11,9-16)14(18)20-2)21-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12?,15-/m1/s1