[4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-3H-1-benzofuran-5-yl] ethanoate

Systemtic Name: [4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-3H-1-benzofuran-5-yl] ethanoate Openeye Name: [4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-3H-benzofuran-5-yl] acetate CAS Name: acetic acid [4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-3H-benzofuran-5-yl] ester IUPAC Name: [4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-3H-1-benzofuran-5-yl] acetate Traditional Name: acetic acid [4,6-ditert-butyl-2-(isothiocyanatomethyl)-2-methyl-coumaran-5-yl] ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1C(C)(C)C)OC(C2)(C)CN=C=S)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1C(C)(C)C)OC(C2)(C)CN=C=S)C(C)(C)C

InChI

InChI=1S/C21H29NO3S/c1-13(23)24-18-15(19(2,3)4)9-16-14(17(18)20(5,6)7)10-21(8,25-16)11-22-12-26/h9H,10-11H2,1-8H3