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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 7,7-dimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-4-carbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 7,7-dimethyl-2-oxo-norbornane-1-carbothioate CAS Name: 7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 7,7-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carbothioate Traditional Name: 2-keto-7,7-dimethyl-norbornane-1-carbothioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)C(=O)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)C(=O)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C17H17NO2S2/c1-16(2)10-7-8-17(16,13(19)9-10)14(20)22-15-18-11-5-3-4-6-12(11)21-15/h3-6,10H,7-9H2,1-2H3