2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)ethanoic acid Openeye Name: 2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetic acid CAS Name: 2-(7,8,9,10-tetrahydrophenanthridin-6-ylthio)acetic acid IUPAC Name: 2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetic acid Traditional Name: 2-(7,8,9,10-tetrahydrophenanthridin-6-ylthio)acetic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C15H15NO2S/c17-14(18)9-19-15-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-15/h3-4,6,8H,1-2,5,7,9H2,(H,17,18)