(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C32H24N2O4S MolecularWeight: 532.60896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C32H24N2O4S/c1-20-15-17-21(18-16-20)29-22-9-3-4-10-23(22)31(36)33(2)30(29)32(37)38-19-28(35)34-24-11-5-7-13-26(24)39-27-14-8-6-12-25(27)34/h3-18H,19H2,1-2H3