[4-(4-acridin-9-ylcarbonyloxy-3-methyl-phenyl)sulfanyl-2-methyl-phenyl] acridine-9-carboxylate

Systemtic Name: [4-(4-acridin-9-ylcarbonyloxy-3-methyl-phenyl)sulfanyl-2-methyl-phenyl] acridine-9-carboxylate Openeye Name: [4-[4-(acridine-9-carbonyloxy)-3-methyl-phenyl]sulfanyl-2-methyl-phenyl] acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid [4-[[4-[9-acridinyl(oxo)methoxy]-3-methylphenyl]thio]-2-methylphenyl] ester IUPAC Name: [4-[4-(acridine-9-carbonyloxy)-3-methylphenyl]sulfanyl-2-methylphenyl] acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid [4-[[4-(acridine-9-carbonyloxy)-3-methyl-phenyl]thio]-2-methyl-phenyl] ester Formula: C42H28N2O4S MolecularWeight: 656.74772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OC(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OC(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86

InChI

InChI=1S/C42H28N2O4S/c1-25-23-27(19-21-37(25)47-41(45)39-29-11-3-7-15-33(29)43-34-16-8-4-12-30(34)39)49-28-20-22-38(26(2)24-28)48-42(46)40-31-13-5-9-17-35(31)44-36-18-10-6-14-32(36)40/h3-24H,1-2H3