(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H18BrNO3S2 MolecularWeight: 500.42792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H18BrNO3S2/c1-15-12-16(24)10-11-19(15)29-14-23(27)28-13-22(26)25-17-6-2-4-8-20(17)30-21-9-5-3-7-18(21)25/h2-12H,13-14H2,1H3