(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C32H29NO4S MolecularWeight: 523.64196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C32H29NO4S/c1-32(2,3)24-16-18-25(19-17-24)36-20-22-12-14-23(15-13-22)31(35)37-21-30(34)33-26-8-4-6-10-28(26)38-29-11-7-5-9-27(29)33/h4-19H,20-21H2,1-3H3