(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H16N2O3S2/c1-27-20-14(7-6-12-22-20)21(25)26-13-19(24)23-15-8-2-4-10-17(15)28-18-11-5-3-9-16(18)23/h2-12H,13H2,1H3