4,4-dimethyl-8-(morpholin-4-ylmethyl)-1,1-bis(oxidanylidene)-2,3-dihydrothiochromene-7-carboxylic acid

Systemtic Name: 4,4-dimethyl-8-(morpholin-4-ylmethyl)-1,1-bis(oxidanylidene)-2,3-dihydrothiochromene-7-carboxylic acid Openeye Name: 4,4-dimethyl-8-(morpholinomethyl)-1,1-dioxo-2,3-dihydrothiochromene-7-carboxylic acid CAS Name: 4,4-dimethyl-8-(4-morpholinylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4,4-dimethyl-8-(morpholin-4-ylmethyl)-1,1-dioxo-2,3-dihydrothiochromene-7-carboxylic acid Traditional Name: 1,1-diketo-4,4-dimethyl-8-(morpholinomethyl)-2,3-dihydrothiochromene-7-carboxylic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C2=C1C=CC(=C2CN3CCOCC3)C(=O)O)C

Isomeric SMILES

CC1(CCS(=O)(=O)C2=C1C=CC(=C2CN3CCOCC3)C(=O)O)C

InChI

InChI=1S/C17H23NO5S/c1-17(2)5-10-24(21,22)15-13(11-18-6-8-23-9-7-18)12(16(19)20)3-4-14(15)17/h3-4H,5-11H2,1-2H3,(H,19,20)