S-phenethyl 3,3-dimethylazetidine-1-carbothioate

Systemtic Name: S-phenethyl 3,3-dimethylazetidine-1-carbothioate Openeye Name: S-phenethyl 3,3-dimethylazetidine-1-carbothioate CAS Name: 3,3-dimethyl-1-azetidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 3,3-dimethylazetidine-1-carbothioate Traditional Name: 3,3-dimethylazetidine-1-carbothioic acid S-phenethyl ester Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C(=O)SCCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CN(C1)C(=O)SCCC2=CC=CC=C2)C

InChI

InChI=1S/C14H19NOS/c1-14(2)10-15(11-14)13(16)17-9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3