1-(2,2-dimethylpropanoyloxy)ethyl 4-bromanyl-2,7-dimethoxy-3-oxidanyl-phenothiazine-10-carboxylate

Systemtic Name: 1-(2,2-dimethylpropanoyloxy)ethyl 4-bromanyl-2,7-dimethoxy-3-oxidanyl-phenothiazine-10-carboxylate Openeye Name: 1-(2,2-dimethylpropanoyloxy)ethyl 4-bromo-3-hydroxy-2,7-dimethoxy-phenothiazine-10-carboxylate CAS Name: 4-bromo-3-hydroxy-2,7-dimethoxy-10-phenothiazinecarboxylic acid 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester IUPAC Name: 1-(2,2-dimethylpropanoyloxy)ethyl 4-bromo-3-hydroxy-2,7-dimethoxyphenothiazine-10-carboxylate Traditional Name: 4-bromo-3-hydroxy-2,7-dimethoxy-phenothiazine-10-carboxylic acid 1-pivaloyloxyethyl ester Formula: C22H24BrNO7S MolecularWeight: 526.39746

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(C)(C)C)OC(=O)N1C2=C(C=C(C=C2)OC)SC3=C(C(=C(C=C31)OC)O)Br

Isomeric SMILES

CC(OC(=O)C(C)(C)C)OC(=O)N1C2=C(C=C(C=C2)OC)SC3=C(C(=C(C=C31)OC)O)Br

InChI

InChI=1S/C22H24BrNO7S/c1-11(30-20(26)22(2,3)4)31-21(27)24-13-8-7-12(28-5)9-16(13)32-19-14(24)10-15(29-6)18(25)17(19)23/h7-11,25H,1-6H3