(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C25H27N3O3S/c1-16(2)14-27-18(4)19(17(3)26-27)13-25(30)31-15-24(29)28-20-9-5-7-11-22(20)32-23-12-8-6-10-21(23)28/h5-12,16H,13-15H2,1-4H3