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

Systemtic Name: S-(1,3-benzoxazol-2-yl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carbothioate Openeye Name: S-(1,3-benzoxazol-2-yl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbothioate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbothioate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbothioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)SC3=NC4=CC=CC=C4O3)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)SC3=NC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C17H17NO4S/c1-15(2)16(3)8-9-17(15,22-12(16)19)13(20)23-14-18-10-6-4-5-7-11(10)21-14/h4-7H,8-9H2,1-3H3