tert-butyl 3-[(4-cyanophenyl)sulfanylmethyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-cyanophenyl)sulfanylmethyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-cyanophenyl)sulfanylmethyl]azetidine-1-carboxylate CAS Name: 3-[[(4-cyanophenyl)thio]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-cyanophenyl)sulfanylmethyl]azetidine-1-carboxylate Traditional Name: 3-[[(4-cyanophenyl)thio]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)CSC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)CSC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H20N2O2S/c1-16(2,3)20-15(19)18-9-13(10-18)11-21-14-6-4-12(8-17)5-7-14/h4-7,13H,9-11H2,1-3H3