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

Systemtic Name: 3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propoxy]phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propoxy]phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[3-(2-chloro-5-oxo-10-phenothiazinyl)propoxy]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propoxy]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[3-(2-chloro-5-keto-phenothiazin-10-yl)propoxy]phenyl]-2-propoxy-propionic acid Formula: C27H28ClNO5S MolecularWeight: 514.03292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO5S/c1-2-15-34-24(27(30)31)17-19-8-11-21(12-9-19)33-16-5-14-29-22-6-3-4-7-25(22)35(32)26-13-10-20(28)18-23(26)29/h3-4,6-13,18,24H,2,5,14-17H2,1H3,(H,30,31)