[2,2,4-trimethyl-1-(4-methylphenyl)carbonyl-quinolin-6-yl] phenothiazine-10-carboxylate

Systemtic Name: [2,2,4-trimethyl-1-(4-methylphenyl)carbonyl-quinolin-6-yl] phenothiazine-10-carboxylate Openeye Name: [2,2,4-trimethyl-1-(4-methylbenzoyl)-6-quinolyl] phenothiazine-10-carboxylate CAS Name: 10-phenothiazinecarboxylic acid [2,2,4-trimethyl-1-[(4-methylphenyl)-oxomethyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(4-methylbenzoyl)quinolin-6-yl] phenothiazine-10-carboxylate Traditional Name: phenothiazine-10-carboxylic acid (2,2,4-trimethyl-1-p-toluoyl-6-quinolyl) ester Formula: C33H28N2O3S MolecularWeight: 532.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C(=CC2(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C(=CC2(C)C)C

InChI

InChI=1S/C33H28N2O3S/c1-21-13-15-23(16-14-21)31(36)35-26-18-17-24(19-25(26)22(2)20-33(35,3)4)38-32(37)34-27-9-5-7-11-29(27)39-30-12-8-6-10-28(30)34/h5-20H,1-4H3