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

Systemtic Name: 3-[4-[2-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)ethoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[2-(2-chloro-5-oxo-phenothiazin-10-yl)ethoxy]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[2-(2-chloro-5-oxo-10-phenothiazinyl)ethoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[2-(2-chloro-5-oxophenothiazin-10-yl)ethoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[2-(2-chloro-5-keto-phenothiazin-10-yl)ethoxy]phenyl]-2-methoxy-propionic acid Formula: C24H22ClNO5S MolecularWeight: 471.95318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClNO5S/c1-30-21(24(27)28)14-16-6-9-18(10-7-16)31-13-12-26-19-4-2-3-5-22(19)32(29)23-11-8-17(25)15-20(23)26/h2-11,15,21H,12-14H2,1H3,(H,27,28)