(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H23NO5S MolecularWeight: 449.51882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC

InChI

InChI=1S/C25H23NO5S/c1-16(2)31-20-13-12-17(14-21(20)29-3)25(28)30-15-24(27)26-18-8-4-6-10-22(18)32-23-11-7-5-9-19(23)26/h4-14,16H,15H2,1-3H3