(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-(1,3-benzoxazol-2-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-(1,3-benzoxazol-2-yl)benzoate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 2-(1,3-benzoxazol-2-yl)benzoate CAS Name: 2-(1,3-benzoxazol-2-yl)benzoic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 2-(1,3-benzoxazol-2-yl)benzoate Traditional Name: 2-(1,3-benzoxazol-2-yl)benzoic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C30H22N2O4S MolecularWeight: 506.57168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6O5

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C30H22N2O4S/c1-2-24(29(33)32-22-14-6-9-17-26(22)37-27-18-10-7-15-23(27)32)36-30(34)20-12-4-3-11-19(20)28-31-21-13-5-8-16-25(21)35-28/h3-18,24H,2H2,1H3