6-(isoquinolin-1-ylmethyl)-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(isoquinolin-1-ylmethyl)-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(1-isoquinolylmethyl)-6-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(1-isoquinolinylmethyl)-6-mercapto-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(isoquinolin-1-ylmethyl)-6-sulfanylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(1-isoquinolylmethyl)-6-mercapto-cyclohexa-2,4-diene-1-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CC3(C=CC=CC3C(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CC3(C=CC=CC3C(=O)O)S

InChI

InChI=1S/C17H15NO2S/c19-16(20)14-7-3-4-9-17(14,21)11-15-13-6-2-1-5-12(13)8-10-18-15/h1-10,14,21H,11H2,(H,19,20)