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

Systemtic Name: 3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propoxy]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[3-(2-chloro-5-oxo-10-phenothiazinyl)propoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[3-(2-chloro-5-keto-phenothiazin-10-yl)propoxy]phenyl]-2-methoxy-propionic acid Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H24ClNO5S/c1-31-22(25(28)29)15-17-7-10-19(11-8-17)32-14-4-13-27-20-5-2-3-6-23(20)33(30)24-12-9-18(26)16-21(24)27/h2-3,5-12,16,22H,4,13-15H2,1H3,(H,28,29)