5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid

Systemtic Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Openeye Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid CAS Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid IUPAC Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylic acid Traditional Name: 5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCSC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CC1CCCSC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C12H14O2S/c1-8-3-2-6-15-11-7-9(12(13)14)4-5-10(8)11/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)