5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2CCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCN2CCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H25NO4S/c1-18(17(20)21)22-12-14(13-23-18)6-4-5-9-19-10-11-24-16-8-3-2-7-15(16)19/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,20,21)