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

Systemtic Name: 2-methyl-5-[4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-[4-(3-oxo-1,4-benzothiazin-4-yl)butyl]-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-[4-(3-oxo-1,4-benzothiazin-4-yl)butyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-[4-(3-oxo-1,4-benzothiazin-4-yl)butyl]-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-(3-keto-1,4-benzothiazin-4-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2C(=O)CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCN2C(=O)CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H23NO5S/c1-18(17(21)22)23-10-13(11-24-18)6-4-5-9-19-14-7-2-3-8-15(14)25-12-16(19)20/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,21,22)