(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17NO3S2 MolecularWeight: 407.50528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H17NO3S2/c1-27-18-11-5-2-8-15(18)22(25)26-14-21(24)23-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)23/h2-13H,14H2,1H3