(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C22H19N3O3S2/c1-14-11-15(2)24-22(23-14)29-13-21(27)28-12-20(26)25-16-7-3-5-9-18(16)30-19-10-6-4-8-17(19)25/h3-11H,12-13H2,1-2H3