1-acetyloxyethyl 3-acetyloxy-4-bromanyl-2,7-dimethoxy-phenothiazine-10-carboxylate

Systemtic Name: 1-acetyloxyethyl 3-acetyloxy-4-bromanyl-2,7-dimethoxy-phenothiazine-10-carboxylate Openeye Name: 1-acetoxyethyl 3-acetoxy-4-bromo-2,7-dimethoxy-phenothiazine-10-carboxylate CAS Name: 3-acetyloxy-4-bromo-2,7-dimethoxy-10-phenothiazinecarboxylic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 3-acetyloxy-4-bromo-2,7-dimethoxyphenothiazine-10-carboxylate Traditional Name: 3-acetoxy-4-bromo-2,7-dimethoxy-phenothiazine-10-carboxylic acid 1-acetoxyethyl ester Formula: C21H20BrNO8S MolecularWeight: 526.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO8S/c1-10(24)29-12(3)31-21(26)23-14-7-6-13(27-4)8-17(14)32-20-15(23)9-16(28-5)19(18(20)22)30-11(2)25/h6-9,12H,1-5H3