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

Systemtic Name: [9-fluoranyl-6-[(2-methoxy-5-methyl-phenyl)amino]-12H-benzo[a]phenothiazin-5-yl] ethanoate Openeye Name: [9-fluoro-6-(2-methoxy-5-methyl-anilino)-12H-benzo[a]phenothiazin-5-yl] acetate CAS Name: acetic acid [9-fluoro-6-(2-methoxy-5-methylanilino)-12H-benzo[a]phenothiazin-5-yl] ester IUPAC Name: [9-fluoro-6-(2-methoxy-5-methylanilino)-12H-benzo[a]phenothiazin-5-yl] acetate Traditional Name: acetic acid [9-fluoro-6-(2-methoxy-5-methyl-anilino)-12H-benzo[a]phenothiazin-5-yl] ester Formula: C26H21FN2O3S MolecularWeight: 460.519943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4)C=CC(=C5)F)OC(=O)C

InChI

InChI=1S/C26H21FN2O3S/c1-14-8-11-21(31-3)20(12-14)29-24-25(32-15(2)30)18-7-5-4-6-17(18)23-26(24)33-22-13-16(27)9-10-19(22)28-23/h4-13,28-29H,1-3H3