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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4,7,7-trimethyl-3-oxo-norbornane-1-carbothioate CAS Name: 1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carbothioate Traditional Name: 3-keto-4,7,7-trimethyl-norbornane-1-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C18H19NO2S2 MolecularWeight: 345.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(CC2=O)C(=O)SC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1(C2(CCC1(CC2=O)C(=O)SC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C18H19NO2S2/c1-16(2)17(3)8-9-18(16,10-13(17)20)14(21)23-15-19-11-6-4-5-7-12(11)22-15/h4-7H,8-10H2,1-3H3