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

Systemtic Name: 3-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-[2-(2-chloro-5-oxo-phenothiazin-10-yl)ethoxy]phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[2-(2-chloro-5-oxo-10-phenothiazinyl)ethoxy]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-[2-(2-chloro-5-oxophenothiazin-10-yl)ethoxy]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[2-(2-chloro-5-keto-phenothiazin-10-yl)ethoxy]phenyl]-2-propoxy-propionic acid Formula: C26H26ClNO5S MolecularWeight: 500.00634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO5S/c1-2-14-33-23(26(29)30)16-18-7-10-20(11-8-18)32-15-13-28-21-5-3-4-6-24(21)34(31)25-12-9-19(27)17-22(25)28/h3-12,17,23H,2,13-16H2,1H3,(H,29,30)