[6-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-9-fluoranyl-12H-benzo[a]phenothiazin-5-yl] ethanoate

Systemtic Name: [6-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-9-fluoranyl-12H-benzo[a]phenothiazin-5-yl] ethanoate Openeye Name: [6-(4-chloro-2-methoxy-5-methyl-anilino)-9-fluoro-12H-benzo[a]phenothiazin-5-yl] acetate CAS Name: acetic acid [6-(4-chloro-2-methoxy-5-methylanilino)-9-fluoro-12H-benzo[a]phenothiazin-5-yl] ester IUPAC Name: [6-(4-chloro-2-methoxy-5-methylanilino)-9-fluoro-12H-benzo[a]phenothiazin-5-yl] acetate Traditional Name: acetic acid [6-(4-chloro-2-methoxy-5-methyl-anilino)-9-fluoro-12H-benzo[a]phenothiazin-5-yl] ester Formula: C26H20ClFN2O3S MolecularWeight: 494.965003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC(=O)C

InChI

InChI=1S/C26H20ClFN2O3S/c1-13-10-20(21(32-3)12-18(13)27)30-24-25(33-14(2)31)17-7-5-4-6-16(17)23-26(24)34-22-11-15(28)8-9-19(22)29-23/h4-12,29-30H,1-3H3