3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methylpyrrol-2-yl)ethanethioamide

Systemtic Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methylpyrrol-2-yl)ethanethioamide Openeye Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methylpyrrol-2-yl)thioacetamide CAS Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methyl-2-pyrrolyl)ethanethioamide IUPAC Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methylpyrrol-2-yl)ethanethioamide Traditional Name: 3-tert-butyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; N-(1-methylpyrrol-2-yl)thioacetamide Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC=CN1C.CC(C)(C)C1=C2C=CC(=C1)O2

Isomeric SMILES

CC(=S)NC1=CC=CN1C.CC(C)(C)C1=C2C=CC(=C1)O2

InChI

InChI=1S/C10H12O.C7H10N2S/c1-10(2,3)8-6-7-4-5-9(8)11-7;1-6(10)8-7-4-3-5-9(7)2/h4-6H,1-3H3;3-5H,1-2H3,(H,8,10)