4-(dimethylamino)-2,3-dihydrothiochromene-4-carboxylic acid

Systemtic Name: 4-(dimethylamino)-2,3-dihydrothiochromene-4-carboxylic acid Openeye Name: 4-(dimethylamino)thiochromane-4-carboxylic acid CAS Name: 4-(dimethylamino)-2,3-dihydro-1-benzothiopyran-4-carboxylic acid IUPAC Name: 4-(dimethylamino)-2,3-dihydrothiochromene-4-carboxylic acid Traditional Name: 4-(dimethylamino)thiochroman-4-carboxylic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CN(C)C1(CCSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H15NO2S/c1-13(2)12(11(14)15)7-8-16-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H,14,15)