(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O5S/c1-17-21(18(2)34-28-17)15-32-20-13-11-19(12-14-20)27(31)33-16-26(30)29-22-7-3-5-9-24(22)35-25-10-6-4-8-23(25)29/h3-14H,15-16H2,1-2H3