(2-methyl-4-sulfanyl-phenyl) acridine-9-carboxylate

Systemtic Name: (2-methyl-4-sulfanyl-phenyl) acridine-9-carboxylate Openeye Name: (2-methyl-4-sulfanyl-phenyl) acridine-9-carboxylate CAS Name: 9-acridinecarboxylic acid (4-mercapto-2-methylphenyl) ester IUPAC Name: (2-methyl-4-sulfanylphenyl) acridine-9-carboxylate Traditional Name: acridine-9-carboxylic acid (4-mercapto-2-methyl-phenyl) ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CC1=C(C=CC(=C1)S)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H15NO2S/c1-13-12-14(25)10-11-19(13)24-21(23)20-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)20/h2-12,25H,1H3