(4E)-2-tert-butyl-6-chloranyl-4-[5-(isothiocyanatomethyl)-1,2-oxazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-tert-butyl-6-chloranyl-4-[5-(isothiocyanatomethyl)-1,2-oxazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-tert-butyl-6-chloro-4-[5-(isothiocyanatomethyl)isoxazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-tert-butyl-6-chloro-4-[5-(isothiocyanatomethyl)-3-isoxazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-tert-butyl-6-chloro-4-[5-(isothiocyanatomethyl)-1,2-oxazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-tert-butyl-6-chloro-4-[5-(isothiocyanatomethyl)isoxazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2CC(ON2)CN=C=S)C=C(C1=O)Cl

Isomeric SMILES

CC(C)(C)C1=C/C(=C\2/CC(ON2)CN=C=S)/C=C(C1=O)Cl

InChI

InChI=1S/C15H17ClN2O2S/c1-15(2,3)11-4-9(5-12(16)14(11)19)13-6-10(20-18-13)7-17-8-21/h4-5,10,18H,6-7H2,1-3H3/b13-9+