(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) anthracene-9-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) anthracene-9-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H19NO3S MolecularWeight: 461.53106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H19NO3S/c31-27(30-23-13-5-7-15-25(23)34-26-16-8-6-14-24(26)30)18-33-29(32)28-21-11-3-1-9-19(21)17-20-10-2-4-12-22(20)28/h1-17H,18H2