methyl (1S,3S)-2,2-dicyano-3-phenylsulfanyl-cyclobutane-1-carboxylate

Systemtic Name: methyl (1S,3S)-2,2-dicyano-3-phenylsulfanyl-cyclobutane-1-carboxylate Openeye Name: methyl (1S,3S)-2,2-dicyano-3-phenylsulfanyl-cyclobutanecarboxylate CAS Name: (1S,3S)-2,2-dicyano-3-(phenylthio)-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-2,2-dicyano-3-phenylsulfanylcyclobutane-1-carboxylate Traditional Name: (1S,3S)-2,2-dicyano-3-(phenylthio)cyclobutanecarboxylic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](C1(C#N)C#N)SC2=CC=CC=C2

InChI

InChI=1S/C14H12N2O2S/c1-18-13(17)11-7-12(14(11,8-15)9-16)19-10-5-3-2-4-6-10/h2-6,11-12H,7H2,1H3/t11-,12+/m1/s1