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

Systemtic Name: 3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl]phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[3-(2-chloro-5-oxo-10-phenothiazinyl)propyl]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[3-(2-chloro-5-keto-phenothiazin-10-yl)propyl]phenyl]-2-propoxy-propionic acid Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO4S/c1-2-16-33-24(27(30)31)17-20-11-9-19(10-12-20)6-5-15-29-22-7-3-4-8-25(22)34(32)26-14-13-21(28)18-23(26)29/h3-4,7-14,18,24H,2,5-6,15-17H2,1H3,(H,30,31)