(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H23N3O3S/c1-15-17(16(2)25(3)24-15)12-13-23(28)29-14-22(27)26-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)26/h4-11H,12-14H2,1-3H3