7-(phenylmethylsulfanyl)-1,2-dihydrocyclopenta[c]pyridine-7-carboxylic acid

Systemtic Name: 7-(phenylmethylsulfanyl)-1,2-dihydrocyclopenta[c]pyridine-7-carboxylic acid Openeye Name: 7-benzylsulfanyl-1,2-dihydrocyclopenta[c]pyridine-7-carboxylic acid CAS Name: 7-(phenylmethylthio)-1,2-dihydrocyclopenta[c]pyridine-7-carboxylic acid IUPAC Name: 7-benzylsulfanyl-1,2-dihydrocyclopenta[c]pyridine-7-carboxylic acid Traditional Name: 7-(benzylthio)-1,2-dihydro-2-pyrindine-7-carboxylic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC2(C(=O)O)SCC3=CC=CC=C3)C=CN1

Isomeric SMILES

C1C2=C(C=CC2(C(=O)O)SCC3=CC=CC=C3)C=CN1

InChI

InChI=1S/C16H15NO2S/c18-15(19)16(20-11-12-4-2-1-3-5-12)8-6-13-7-9-17-10-14(13)16/h1-9,17H,10-11H2,(H,18,19)