methyl 2-methyl-5-[4-(2-phenothiazin-10-ylethoxy)phenyl]-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-(2-phenothiazin-10-ylethoxy)phenyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[4-(2-phenothiazin-10-ylethoxy)phenyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[4-(2-phenothiazin-10-ylethoxy)phenyl]-1,3-dioxane-2-carboxylate Traditional Name: 2-methyl-5-[4-(2-phenothiazin-10-ylethoxy)phenyl]-1,3-dioxane-2-carboxylic acid methyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)C2=CC=C(C=C2)OCCN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)C2=CC=C(C=C2)OCCN3C4=CC=CC=C4SC5=CC=CC=C53)C(=O)OC

InChI

InChI=1S/C27H27NO5S/c1-27(26(29)30-2)32-17-20(18-33-27)19-11-13-21(14-12-19)31-16-15-28-22-7-3-5-9-24(22)34-25-10-6-4-8-23(25)28/h3-14,20H,15-18H2,1-2H3