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

Systemtic Name: 2-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 2-[4-[2-(2-chloro-5-oxo-phenothiazin-10-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 2-[4-[2-(2-chloro-5-oxo-10-phenothiazinyl)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 2-[4-[2-(2-chloro-5-oxophenothiazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 2-[4-[2-(2-chloro-5-keto-phenothiazin-10-yl)ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C1=CC=C(C=C1)OCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCOC(C)(C1=CC=C(C=C1)OCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H24ClNO5S/c1-3-32-25(2,24(28)29)17-8-11-19(12-9-17)31-15-14-27-20-6-4-5-7-22(20)33(30)23-13-10-18(26)16-21(23)27/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)