2-[4-[(E)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(E)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(E)-3-(10-ethyl-2-phenothiazinyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-propionic acid Formula: C28H29NO4S MolecularWeight: 475.59916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=CCOC4=CC=C(C=C4)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)/C(=C/COC4=CC=C(C=C4)OC(C)(C)C(=O)O)/C

InChI

InChI=1S/C28H29NO4S/c1-5-29-23-8-6-7-9-25(23)34-26-15-10-20(18-24(26)29)19(2)16-17-32-21-11-13-22(14-12-21)33-28(3,4)27(30)31/h6-16,18H,5,17H2,1-4H3,(H,30,31)/b19-16+