3-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-phenylmethoxy-propanoic acid

Systemtic Name: 3-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-phenylmethoxy-propanoic acid Openeye Name: 2-benzyloxy-3-[4-[2-(2-chloro-5-oxo-phenothiazin-10-yl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-chloro-5-oxo-10-phenothiazinyl)ethoxy]phenyl]-2-phenylmethoxypropanoic acid IUPAC Name: 3-[4-[2-(2-chloro-5-oxophenothiazin-10-yl)ethoxy]phenyl]-2-phenylmethoxypropanoic acid Traditional Name: 2-benzoxy-3-[4-[2-(2-chloro-5-keto-phenothiazin-10-yl)ethoxy]phenyl]propionic acid Formula: C30H26ClNO5S MolecularWeight: 548.04914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C30H26ClNO5S/c31-23-12-15-29-26(19-23)32(25-8-4-5-9-28(25)38(29)35)16-17-36-24-13-10-21(11-14-24)18-27(30(33)34)37-20-22-6-2-1-3-7-22/h1-15,19,27H,16-18,20H2,(H,33,34)