(3-chloranyl-1-benzothiophen-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H19ClO3S MolecularWeight: 362.87036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H19ClO3S/c20-17-14-6-1-2-7-15(14)24-16(17)10-23-19(22)13-8-11-4-3-5-12(9-13)18(11)21/h1-2,6-7,11-13H,3-5,8-10H2