methyl 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[4-(10-phenothiazinyl)butyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylate Traditional Name: 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC

InChI

InChI=1S/C23H27NO4S/c1-23(22(25)26-2)27-15-17(16-28-23)9-7-8-14-24-18-10-3-5-12-20(18)29-21-13-6-4-11-19(21)24/h3-6,10-13,17H,7-9,14-16H2,1-2H3