(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H20BrNO3S2 MolecularWeight: 514.4545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C24H20BrNO3S2/c1-15-12-22(16(2)11-17(15)25)30-14-24(28)29-13-23(27)26-18-7-3-5-9-20(18)31-21-10-6-4-8-19(21)26/h3-12H,13-14H2,1-2H3