[(2R,3R,4R,5R)-5-[5-acetyloxy-9-chloranyl-6-[(2-methoxy-5-methyl-phenyl)amino]benzo[a]phenothiazin-12-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[5-acetyloxy-9-chloranyl-6-[(2-methoxy-5-methyl-phenyl)amino]benzo[a]phenothiazin-12-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-5-[5-acetoxy-9-chloro-6-(2-methoxy-5-methyl-anilino)benzo[a]phenothiazin-12-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-5-[5-acetyloxy-9-chloro-6-(2-methoxy-5-methylanilino)-12-benzo[a]phenothiazinyl]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[5-acetyloxy-9-chloro-6-(2-methoxy-5-methylanilino)benzo[a]phenothiazin-12-yl]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-[5-acetoxy-9-chloro-6-(2-methoxy-5-methyl-anilino)benzo[a]phenothiazin-12-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C52H41ClN2O10S MolecularWeight: 921.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4C6C(C(C(O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C=CC(=C5)Cl)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C=CC(=C5)Cl)OC(=O)C

InChI

InChI=1S/C52H41ClN2O10S/c1-30-23-26-40(60-3)38(27-30)54-43-45(62-31(2)56)37-22-14-13-21-36(37)44-48(43)66-42-28-35(53)24-25-39(42)55(44)49-47(65-52(59)34-19-11-6-12-20-34)46(64-51(58)33-17-9-5-10-18-33)41(63-49)29-61-50(57)32-15-7-4-8-16-32/h4-28,41,46-47,49,54H,29H2,1-3H3/t41-,46-,47-,49-/m1/s1