(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C25H19N3O4S/c1-14-23-16(12-17(15-10-11-15)26-24(23)32-27-14)25(30)31-13-22(29)28-18-6-2-4-8-20(18)33-21-9-5-3-7-19(21)28/h2-9,12,15H,10-11,13H2,1H3