2,3,4,5-tetrahydro-1-benzothiepine-2-carboxylic acid

Systemtic Name: 2,3,4,5-tetrahydro-1-benzothiepine-2-carboxylic acid Openeye Name: 2,3,4,5-tetrahydro-1-benzothiepine-2-carboxylic acid CAS Name: 2,3,4,5-tetrahydro-1-benzothiepin-2-carboxylic acid IUPAC Name: 2,3,4,5-tetrahydro-1-benzothiepine-2-carboxylic acid Traditional Name: 2,3,4,5-tetrahydro-1-benzothiepin-2-carboxylic acid Formula: C11H12O2S MolecularWeight: 208.27678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC2=CC=CC=C2C1)C(=O)O

Isomeric SMILES

C1CC(SC2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C11H12O2S/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)14-10/h1-2,4,6,10H,3,5,7H2,(H,12,13)