dimethyl 2,2-dicyano-3-phenylsulfanyl-cyclobutane-1,1-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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