[6-[(4-bromophenyl)amino]-8-chloranyl-11-methoxy-12H-benzo[a]phenothiazin-5-yl] ethanoate

Systemtic Name: [6-[(4-bromophenyl)amino]-8-chloranyl-11-methoxy-12H-benzo[a]phenothiazin-5-yl] ethanoate Openeye Name: [6-(4-bromoanilino)-8-chloro-11-methoxy-12H-benzo[a]phenothiazin-5-yl] acetate CAS Name: acetic acid [6-(4-bromoanilino)-8-chloro-11-methoxy-12H-benzo[a]phenothiazin-5-yl] ester IUPAC Name: [6-(4-bromoanilino)-8-chloro-11-methoxy-12H-benzo[a]phenothiazin-5-yl] acetate Traditional Name: acetic acid [6-(4-bromoanilino)-8-chloro-11-methoxy-12H-benzo[a]phenothiazin-5-yl] ester Formula: C25H18BrClN2O3S MolecularWeight: 541.84402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C3=CC=CC=C31)NC4=C(C=CC(=C4S2)Cl)OC)NC5=CC=C(C=C5)Br

Isomeric SMILES

CC(=O)OC1=C(C2=C(C3=CC=CC=C31)NC4=C(C=CC(=C4S2)Cl)OC)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H18BrClN2O3S/c1-13(30)32-23-17-6-4-3-5-16(17)20-25(22(23)28-15-9-7-14(26)8-10-15)33-24-18(27)11-12-19(31-2)21(24)29-20/h3-12,28-29H,1-2H3