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

Systemtic Name: 3-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-(2-chloro-5-oxo-phenothiazin-10-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-(2-chloro-5-oxo-10-phenothiazinyl)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-(2-chloro-5-oxophenothiazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[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(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H24ClNO5S/c1-2-31-22(25(28)29)15-17-7-10-19(11-8-17)32-14-13-27-20-5-3-4-6-23(20)33(30)24-12-9-18(26)16-21(24)27/h3-12,16,22H,2,13-15H2,1H3,(H,28,29)