ethyl 3-(phenylmethylsulfanyl)azetidine-2-carboxylate

Systemtic Name: ethyl 3-(phenylmethylsulfanyl)azetidine-2-carboxylate Openeye Name: ethyl 3-benzylsulfanylazetidine-2-carboxylate CAS Name: 3-(phenylmethylthio)-2-azetidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanylazetidine-2-carboxylate Traditional Name: 3-(benzylthio)azetidine-2-carboxylic acid ethyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN1)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(CN1)SCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO2S/c1-2-16-13(15)12-11(8-14-12)17-9-10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3