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

Systemtic Name: 3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[3-(2-chloro-5-oxo-10-phenothiazinyl)propyl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[3-(2-chloro-5-keto-phenothiazin-10-yl)propyl]phenyl]-2-ethoxy-propionic acid Formula: C26H26ClNO4S MolecularWeight: 484.00694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H26ClNO4S/c1-2-32-23(26(29)30)16-19-11-9-18(10-12-19)6-5-15-28-21-7-3-4-8-24(21)33(31)25-14-13-20(27)17-22(25)28/h3-4,7-14,17,23H,2,5-6,15-16H2,1H3,(H,29,30)