phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid phenanthridin-6-ylmethyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H16N2O2S/c1-26-20-17(10-6-12-22-20)21(24)25-13-19-16-9-3-2-7-14(16)15-8-4-5-11-18(15)23-19/h2-12H,13H2,1H3