ethyl 2-[10-[2-(dimethylamino)propyl]-7-fluoranyl-phenothiazin-2-yl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[10-[2-(dimethylamino)propyl]-7-fluoranyl-phenothiazin-2-yl]-2-methyl-propanoate Openeye Name: ethyl 2-[10-[2-(dimethylamino)propyl]-7-fluoro-phenothiazin-2-yl]-2-methyl-propanoate CAS Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoro-2-phenothiazinyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[10-[2-(dimethylamino)propyl]-7-fluorophenothiazin-2-yl]-2-methylpropanoate Traditional Name: 2-[10-[2-(dimethylamino)propyl]-7-fluoro-phenothiazin-2-yl]-2-methyl-propionic acid ethyl ester Formula: C23H29FN2O2S MolecularWeight: 416.551963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C1=CC2=C(C=C1)SC3=C(N2CC(C)N(C)C)C=CC(=C3)F

Isomeric SMILES

CCOC(=O)C(C)(C)C1=CC2=C(C=C1)SC3=C(N2CC(C)N(C)C)C=CC(=C3)F

InChI

InChI=1S/C23H29FN2O2S/c1-7-28-22(27)23(3,4)16-8-11-20-19(12-16)26(14-15(2)25(5)6)18-10-9-17(24)13-21(18)29-20/h8-13,15H,7,14H2,1-6H3