dimethyl (1R,2S)-1,2-dicyano-3-phenylsulfanyl-cyclobutane-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-1,2-dicyano-3-phenylsulfanyl-cyclobutane-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-1,2-dicyano-3-phenylsulfanyl-cyclobutane-1,2-dicarboxylate CAS Name: (1R,2S)-1,2-dicyano-3-(phenylthio)cyclobutane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-1,2-dicyano-3-phenylsulfanylcyclobutane-1,2-dicarboxylate Traditional Name: (1R,2S)-1,2-dicyano-3-(phenylthio)cyclobutane-1,2-dicarboxylic acid dimethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-21-13(19)15(9-17)8-12(16(15,10-18)14(20)22-2)23-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12?,15-,16+/m1/s1