(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C32H24N2O4S MolecularWeight: 532.60896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=C(C5=CC=CC=C5C(=O)N4C)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=C(C5=CC=CC=C5C(=O)N4C)C6=CC=CC=C6

InChI

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