(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C27H23N3O3S/c1-16-17(2)29-25(28-16)19-12-14-20(15-13-19)27(32)33-18(3)26(31)30-21-8-4-6-10-23(21)34-24-11-7-5-9-22(24)30/h4-15,18H,1-3H3,(H,28,29)