methyl 1-tert-butyl-3-chloranyl-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidine-3-carboxylate

Systemtic Name: methyl 1-tert-butyl-3-chloranyl-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidine-3-carboxylate Openeye Name: methyl 2-benzylsulfanyl-1-tert-butyl-3-chloro-4-oxo-azetidine-3-carboxylate CAS Name: 1-tert-butyl-3-chloro-2-oxo-4-(phenylmethylthio)-3-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-1-tert-butyl-3-chloro-4-oxoazetidine-3-carboxylate Traditional Name: 2-(benzylthio)-1-tert-butyl-3-chloro-4-keto-azetidine-3-carboxylic acid methyl ester Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C(C1=O)(C(=O)OC)Cl)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(C(C1=O)(C(=O)OC)Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C16H20ClNO3S/c1-15(2,3)18-12(19)16(17,14(20)21-4)13(18)22-10-11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3