ditert-butyl (3Z)-3-(2-oxidanylidene-2-phenylsulfanyl-ethylidene)azetidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl (3Z)-3-(2-oxidanylidene-2-phenylsulfanyl-ethylidene)azetidine-1,2-dicarboxylate Openeye Name: ditert-butyl (3Z)-3-(2-oxo-2-phenylsulfanyl-ethylidene)azetidine-1,2-dicarboxylate CAS Name: (3Z)-3-[2-oxo-2-(phenylthio)ethylidene]azetidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3Z)-3-(2-oxo-2-phenylsulfanylethylidene)azetidine-1,2-dicarboxylate Traditional Name: (3Z)-3-[2-keto-2-(phenylthio)ethylidene]azetidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CC(=O)SC2=CC=CC=C2)CN1C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1/C(=C\C(=O)SC2=CC=CC=C2)/CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-20(2,3)26-18(24)17-14(13-22(17)19(25)27-21(4,5)6)12-16(23)28-15-10-8-7-9-11-15/h7-12,17H,13H2,1-6H3/b14-12-