S-(1,3-benzoxazol-2-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carbothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carbothioate Openeye Name: S-(1,3-benzoxazol-2-yl) 2-bromo-4,7,7-trimethyl-3-oxo-norbornane-1-carbothioate CAS Name: 3-bromo-1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarbothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 3-bromo-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carbothioate Traditional Name: 2-bromo-3-keto-4,7,7-trimethyl-norbornane-1-carbothioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(C(C2=O)Br)C(=O)SC3=NC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC1(C2(CCC1(C(C2=O)Br)C(=O)SC3=NC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C18H18BrNO3S/c1-16(2)17(3)8-9-18(16,12(19)13(17)21)14(22)24-15-20-10-6-4-5-7-11(10)23-15/h4-7,12H,8-9H2,1-3H3